Showing NP-Card for Rhizoxin S2 (NP0006545)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 03:31:51 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:55:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0006545 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Rhizoxin S2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Rhizoxin S2 belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Rhizoxin S2 is found in Burkholderia sp. It was first documented in 2006 (PMID: 16939276). Based on a literature review very few articles have been published on Rhizoxin S2 (PMID: 34347373) (PMID: 23106078). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0006545 (Rhizoxin S2)Mrv1652307012119063D 94 96 0 0 0 0 999 V2000 0.2534 -3.1987 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -2.9948 -0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 -1.6706 -0.5109 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4254 -1.6131 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -2.3119 -1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -0.9112 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -0.8140 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 -0.1067 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 0.0607 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -0.6257 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 0.8012 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0193 1.0155 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8394 1.2334 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 1.3672 0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1218 1.2528 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3596 1.3489 2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 1.0347 2.2735 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.9353 -1.5233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1732 -1.6330 -2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 -0.6595 -0.9390 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1634 0.0276 -1.9140 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9372 1.3886 -2.3502 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5884 1.6846 -2.6538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 2.5331 -1.6177 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8246 3.9017 -1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 2.4073 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 2.6261 -1.4665 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8434 1.5676 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7739 1.0145 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 1.4312 0.1874 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7594 2.7532 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7215 0.4354 1.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7341 1.0088 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -0.4655 1.8681 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5795 -0.8697 1.2366 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7436 -2.2414 0.6287 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0829 -3.2980 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -3.1167 2.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 -4.6064 1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 -0.8501 2.1057 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0100 0.5050 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 1.2042 2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 0.7033 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 1.2011 1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 -0.1075 0.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.2517 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -3.0766 1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -2.4650 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -1.1610 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -2.8380 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -3.1386 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 -1.6444 -2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.3691 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 -1.3130 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 0.4066 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -0.8441 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1097 -1.5761 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -0.0270 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 1.2684 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5412 1.2894 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7081 0.3567 3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1366 1.9574 3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 1.8291 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 0.0810 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 -1.3364 -3.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 -2.7264 -2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -1.3812 -3.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -1.7261 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 -0.6385 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -0.0907 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 1.4598 -3.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.1731 -3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 4.6124 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 3.7337 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 4.3118 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 3.6546 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 1.2235 -3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 0.2224 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 1.6710 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 3.4452 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7434 3.1988 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8258 2.4805 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2494 -0.2430 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4549 1.8388 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 0.0366 2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4558 -1.3616 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 -0.1876 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4535 -2.2591 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -2.5411 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -4.8726 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 -1.5229 3.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 -1.3490 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 0.9769 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 2.2347 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 17 12 1 0 0 0 0 45 20 1 0 0 0 0 27 24 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 3 49 1 1 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 6 53 1 0 0 0 0 7 54 1 0 0 0 0 8 55 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 11 59 1 0 0 0 0 13 60 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 18 64 1 6 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 68 1 1 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 71 1 6 0 0 0 23 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 27 76 1 1 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 1 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 6 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 6 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 M END 3D MOL for NP0006545 (Rhizoxin S2)RDKit 3D 94 96 0 0 0 0 0 0 0 0999 V2000 0.2534 -3.1987 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -2.9948 -0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 -1.6706 -0.5109 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4254 -1.6131 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -2.3119 -1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -0.9112 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -0.8140 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 -0.1067 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 0.0607 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -0.6257 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 0.8012 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0193 1.0155 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8394 1.2334 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 1.3672 0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1218 1.2528 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3596 1.3489 2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 1.0347 2.2735 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.9353 -1.5233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1732 -1.6330 -2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 -0.6595 -0.9390 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1634 0.0276 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9372 1.3886 -2.3502 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5884 1.6846 -2.6538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 2.5331 -1.6177 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8246 3.9017 -1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 2.4073 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 2.6261 -1.4665 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8434 1.5676 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7739 1.0145 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 1.4312 0.1874 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7594 2.7532 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7215 0.4354 1.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7341 1.0088 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -0.4655 1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 -0.8697 1.2366 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7436 -2.2414 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0829 -3.2980 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -3.1167 2.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 -4.6064 1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 -0.8501 2.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 0.5050 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 1.2042 2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 0.7033 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 1.2011 1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 -0.1075 0.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.2517 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -3.0766 1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -2.4650 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -1.1610 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -2.8380 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -3.1386 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 -1.6444 -2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.3691 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 -1.3130 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 0.4066 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -0.8441 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1097 -1.5761 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -0.0270 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 1.2684 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5412 1.2894 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7081 0.3567 3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1366 1.9574 3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 1.8291 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 0.0810 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 -1.3364 -3.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 -2.7264 -2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -1.3812 -3.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -1.7261 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 -0.6385 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -0.0907 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 1.4598 -3.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.1731 -3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 4.6124 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 3.7337 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 4.3118 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 3.6546 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 1.2235 -3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 0.2224 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 1.6710 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 3.4452 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7434 3.1988 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8258 2.4805 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2494 -0.2430 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4549 1.8388 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 0.0366 2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4558 -1.3616 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 -0.1876 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4535 -2.2591 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -2.5411 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -4.8726 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 -1.5229 3.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 -1.3490 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 0.9769 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 2.2347 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 3 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 1 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 35 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 43 45 1 0 17 12 1 0 45 20 1 0 27 24 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 1 5 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 10 56 1 0 10 57 1 0 10 58 1 0 11 59 1 0 13 60 1 0 16 61 1 0 16 62 1 0 16 63 1 0 18 64 1 6 19 65 1 0 19 66 1 0 19 67 1 0 20 68 1 1 21 69 1 0 21 70 1 0 22 71 1 6 23 72 1 0 25 73 1 0 25 74 1 0 25 75 1 0 27 76 1 1 28 77 1 0 29 78 1 0 30 79 1 1 31 80 1 0 31 81 1 0 31 82 1 0 32 83 1 6 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 6 36 88 1 0 36 89 1 0 39 90 1 0 40 91 1 0 40 92 1 0 41 93 1 0 42 94 1 0 M END 3D SDF for NP0006545 (Rhizoxin S2)Mrv1652307012119063D 94 96 0 0 0 0 999 V2000 0.2534 -3.1987 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -2.9948 -0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 -1.6706 -0.5109 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4254 -1.6131 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -2.3119 -1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -0.9112 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -0.8140 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 -0.1067 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 0.0607 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -0.6257 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 0.8012 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0193 1.0155 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8394 1.2334 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 1.3672 0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1218 1.2528 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3596 1.3489 2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 1.0347 2.2735 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.9353 -1.5233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1732 -1.6330 -2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 -0.6595 -0.9390 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1634 0.0276 -1.9140 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9372 1.3886 -2.3502 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5884 1.6846 -2.6538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 2.5331 -1.6177 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8246 3.9017 -1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 2.4073 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 2.6261 -1.4665 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8434 1.5676 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7739 1.0145 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 1.4312 0.1874 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7594 2.7532 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7215 0.4354 1.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7341 1.0088 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -0.4655 1.8681 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5795 -0.8697 1.2366 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7436 -2.2414 0.6287 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0829 -3.2980 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -3.1167 2.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 -4.6064 1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 -0.8501 2.1057 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0100 0.5050 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 1.2042 2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 0.7033 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 1.2011 1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 -0.1075 0.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.2517 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -3.0766 1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -2.4650 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -1.1610 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -2.8380 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -3.1386 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 -1.6444 -2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.3691 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 -1.3130 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 0.4066 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -0.8441 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1097 -1.5761 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -0.0270 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 1.2684 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5412 1.2894 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7081 0.3567 3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1366 1.9574 3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 1.8291 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 0.0810 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 -1.3364 -3.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 -2.7264 -2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -1.3812 -3.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -1.7261 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 -0.6385 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -0.0907 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 1.4598 -3.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.1731 -3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 4.6124 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 3.7337 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 4.3118 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 3.6546 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 1.2235 -3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 0.2224 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 1.6710 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 3.4452 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7434 3.1988 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8258 2.4805 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2494 -0.2430 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4549 1.8388 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 0.0366 2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4558 -1.3616 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 -0.1876 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4535 -2.2591 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -2.5411 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -4.8726 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 -1.5229 3.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 -1.3490 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 0.9769 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 2.2347 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 17 12 1 0 0 0 0 45 20 1 0 0 0 0 27 24 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 3 49 1 1 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 6 53 1 0 0 0 0 7 54 1 0 0 0 0 8 55 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 11 59 1 0 0 0 0 13 60 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 18 64 1 6 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 68 1 1 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 71 1 6 0 0 0 23 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 27 76 1 1 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 1 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 6 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 6 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 M END > <DATABASE_ID> NP0006545 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])[C@]1([H])C([H])([H])\C([H])=C([H])/C(=O)O[C@@]([H])(C([H])([H])[C@]([H])(O[H])[C@@]2(O[C@]2([H])\C([H])=C([H])/[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C1([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])C1=C([H])OC(=N1)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C35H49NO9/c1-21(16-27-20-43-25(5)36-27)10-8-11-23(3)34(42-7)24(4)29-19-30(38)35(6)31(45-35)15-14-22(2)28(37)17-26(18-32(39)40)12-9-13-33(41)44-29/h8-11,13-16,20,22,24,26,28-31,34,37-38H,12,17-19H2,1-7H3,(H,39,40)/b10-8+,13-9-,15-14-,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35+/m1/s1 > <INCHI_KEY> FAIGGHHPKTYDHM-VRAWKDPKSA-N > <FORMULA> C35H49NO9 > <MOLECULAR_WEIGHT> 627.775 > <EXACT_MASS> 627.340732162 > <JCHEM_ACCEPTOR_COUNT> 8 > <JCHEM_ATOM_COUNT> 94 > <JCHEM_AVERAGE_POLARIZABILITY> 69.68761512939824 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-[(1S,2S,4S,7Z,10R,12R,13R,14Z,16R)-2,12-dihydroxy-4-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid > <ALOGPS_LOGP> 4.50 > <JCHEM_LOGP> 4.073511870333332 > <ALOGPS_LOGS> -4.54 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 13.824305388453801 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.166171295612571 > <JCHEM_PKA_STRONGEST_BASIC> 0.5948665808727922 > <JCHEM_POLAR_SURFACE_AREA> 151.85000000000002 > <JCHEM_REFRACTIVITY> 173.90920000000008 > <JCHEM_ROTATABLE_BOND_COUNT> 9 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.83e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> [(1S,2S,4S,7Z,10R,12R,13R,14Z,16R)-2,12-dihydroxy-4-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0006545 (Rhizoxin S2)RDKit 3D 94 96 0 0 0 0 0 0 0 0999 V2000 0.2534 -3.1987 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -2.9948 -0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 -1.6706 -0.5109 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4254 -1.6131 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 -2.3119 -1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -0.9112 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -0.8140 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 -0.1067 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 0.0607 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -0.6257 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 0.8012 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0193 1.0155 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8394 1.2334 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 1.3672 0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1218 1.2528 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3596 1.3489 2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 1.0347 2.2735 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.9353 -1.5233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1732 -1.6330 -2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 -0.6595 -0.9390 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1634 0.0276 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9372 1.3886 -2.3502 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5884 1.6846 -2.6538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 2.5331 -1.6177 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8246 3.9017 -1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 2.4073 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 2.6261 -1.4665 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8434 1.5676 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7739 1.0145 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 1.4312 0.1874 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7594 2.7532 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7215 0.4354 1.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7341 1.0088 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -0.4655 1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 -0.8697 1.2366 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7436 -2.2414 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0829 -3.2980 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -3.1167 2.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 -4.6064 1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 -0.8501 2.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 0.5050 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 1.2042 2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 0.7033 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 1.2011 1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 -0.1075 0.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.2517 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -3.0766 1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -2.4650 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -1.1610 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -2.8380 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -3.1386 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 -1.6444 -2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.3691 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 -1.3130 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 0.4066 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -0.8441 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1097 -1.5761 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -0.0270 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 1.2684 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5412 1.2894 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7081 0.3567 3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1366 1.9574 3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 1.8291 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 0.0810 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 -1.3364 -3.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 -2.7264 -2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -1.3812 -3.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -1.7261 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 -0.6385 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -0.0907 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 1.4598 -3.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.1731 -3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 4.6124 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 3.7337 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 4.3118 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 3.6546 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 1.2235 -3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 0.2224 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 1.6710 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 3.4452 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7434 3.1988 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8258 2.4805 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2494 -0.2430 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4549 1.8388 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 0.0366 2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4558 -1.3616 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 -0.1876 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4535 -2.2591 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -2.5411 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -4.8726 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 -1.5229 3.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 -1.3490 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 0.9769 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 2.2347 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 3 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 1 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 35 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 43 45 1 0 17 12 1 0 45 20 1 0 27 24 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 1 5 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 10 56 1 0 10 57 1 0 10 58 1 0 11 59 1 0 13 60 1 0 16 61 1 0 16 62 1 0 16 63 1 0 18 64 1 6 19 65 1 0 19 66 1 0 19 67 1 0 20 68 1 1 21 69 1 0 21 70 1 0 22 71 1 6 23 72 1 0 25 73 1 0 25 74 1 0 25 75 1 0 27 76 1 1 28 77 1 0 29 78 1 0 30 79 1 1 31 80 1 0 31 81 1 0 31 82 1 0 32 83 1 6 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 6 36 88 1 0 36 89 1 0 39 90 1 0 40 91 1 0 40 92 1 0 41 93 1 0 42 94 1 0 M END PDB for NP0006545 (Rhizoxin S2)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 0.253 -3.199 1.006 0.00 0.00 C+0 HETATM 2 O UNK 0 0.567 -2.995 -0.319 0.00 0.00 O+0 HETATM 3 C UNK 0 0.964 -1.671 -0.511 0.00 0.00 C+0 HETATM 4 C UNK 0 2.425 -1.613 -0.802 0.00 0.00 C+0 HETATM 5 C UNK 0 3.017 -2.312 -1.954 0.00 0.00 C+0 HETATM 6 C UNK 0 3.224 -0.911 -0.020 0.00 0.00 C+0 HETATM 7 C UNK 0 4.681 -0.814 -0.254 0.00 0.00 C+0 HETATM 8 C UNK 0 5.447 -0.107 0.542 0.00 0.00 C+0 HETATM 9 C UNK 0 6.884 0.061 0.416 0.00 0.00 C+0 HETATM 10 C UNK 0 7.624 -0.626 -0.675 0.00 0.00 C+0 HETATM 11 C UNK 0 7.582 0.801 1.263 0.00 0.00 C+0 HETATM 12 C UNK 0 9.019 1.016 1.198 0.00 0.00 C+0 HETATM 13 C UNK 0 9.839 1.233 0.115 0.00 0.00 C+0 HETATM 14 O UNK 0 11.073 1.367 0.547 0.00 0.00 O+0 HETATM 15 C UNK 0 11.122 1.253 1.839 0.00 0.00 C+0 HETATM 16 C UNK 0 12.360 1.349 2.684 0.00 0.00 C+0 HETATM 17 N UNK 0 9.869 1.035 2.273 0.00 0.00 N+0 HETATM 18 C UNK 0 0.124 -0.935 -1.523 0.00 0.00 C+0 HETATM 19 C UNK 0 0.173 -1.633 -2.816 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.255 -0.660 -0.939 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.163 0.028 -1.914 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.937 1.389 -2.350 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.588 1.685 -2.654 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.526 2.533 -1.618 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.825 3.902 -1.761 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.142 2.407 -0.405 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.984 2.626 -1.466 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.843 1.568 -1.977 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.774 1.014 -1.195 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.976 1.431 0.187 0.00 0.00 C+0 HETATM 31 C UNK 0 -6.759 2.753 0.137 0.00 0.00 C+0 HETATM 32 C UNK 0 -6.721 0.435 1.039 0.00 0.00 C+0 HETATM 33 O UNK 0 -7.734 1.009 1.805 0.00 0.00 O+0 HETATM 34 C UNK 0 -5.845 -0.466 1.868 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.580 -0.870 1.237 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.744 -2.241 0.629 0.00 0.00 C+0 HETATM 37 C UNK 0 -5.083 -3.298 1.583 0.00 0.00 C+0 HETATM 38 O UNK 0 -5.195 -3.117 2.841 0.00 0.00 O+0 HETATM 39 O UNK 0 -5.312 -4.606 1.166 0.00 0.00 O+0 HETATM 40 C UNK 0 -3.344 -0.850 2.106 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.010 0.505 2.579 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.958 1.204 2.208 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.983 0.703 1.264 0.00 0.00 C+0 HETATM 44 O UNK 0 0.200 1.201 1.534 0.00 0.00 O+0 HETATM 45 O UNK 0 -1.107 -0.108 0.264 0.00 0.00 O+0 HETATM 46 H UNK 0 -0.068 -4.252 1.206 0.00 0.00 H+0 HETATM 47 H UNK 0 1.169 -3.077 1.663 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.473 -2.465 1.341 0.00 0.00 H+0 HETATM 49 H UNK 0 0.823 -1.161 0.485 0.00 0.00 H+0 HETATM 50 H UNK 0 3.947 -2.838 -1.537 0.00 0.00 H+0 HETATM 51 H UNK 0 2.396 -3.139 -2.362 0.00 0.00 H+0 HETATM 52 H UNK 0 3.432 -1.644 -2.736 0.00 0.00 H+0 HETATM 53 H UNK 0 2.817 -0.369 0.844 0.00 0.00 H+0 HETATM 54 H UNK 0 5.144 -1.313 -1.081 0.00 0.00 H+0 HETATM 55 H UNK 0 4.951 0.407 1.382 0.00 0.00 H+0 HETATM 56 H UNK 0 8.666 -0.844 -0.348 0.00 0.00 H+0 HETATM 57 H UNK 0 7.110 -1.576 -0.981 0.00 0.00 H+0 HETATM 58 H UNK 0 7.677 -0.027 -1.601 0.00 0.00 H+0 HETATM 59 H UNK 0 6.982 1.268 2.056 0.00 0.00 H+0 HETATM 60 H UNK 0 9.541 1.289 -0.924 0.00 0.00 H+0 HETATM 61 H UNK 0 12.708 0.357 3.033 0.00 0.00 H+0 HETATM 62 H UNK 0 12.137 1.957 3.571 0.00 0.00 H+0 HETATM 63 H UNK 0 13.180 1.829 2.144 0.00 0.00 H+0 HETATM 64 H UNK 0 0.681 0.081 -1.588 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.555 -1.336 -3.593 0.00 0.00 H+0 HETATM 66 H UNK 0 0.122 -2.726 -2.756 0.00 0.00 H+0 HETATM 67 H UNK 0 1.167 -1.381 -3.293 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.697 -1.726 -0.919 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.181 -0.639 -2.842 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.188 -0.091 -1.546 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.406 1.460 -3.400 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.337 1.173 -3.474 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.485 4.612 -2.278 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.873 3.734 -2.305 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.560 4.312 -0.766 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.477 3.655 -1.519 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.718 1.224 -3.024 0.00 0.00 H+0 HETATM 78 H UNK 0 -6.390 0.222 -1.639 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.036 1.671 0.683 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.454 3.445 0.921 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.743 3.199 -0.866 0.00 0.00 H+0 HETATM 82 H UNK 0 -7.826 2.481 0.356 0.00 0.00 H+0 HETATM 83 H UNK 0 -7.249 -0.243 0.316 0.00 0.00 H+0 HETATM 84 H UNK 0 -7.455 1.839 2.259 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.653 0.037 2.830 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.456 -1.362 2.086 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.315 -0.188 0.376 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.454 -2.259 -0.222 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.747 -2.541 0.180 0.00 0.00 H+0 HETATM 90 H UNK 0 -5.352 -4.873 0.188 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.490 -1.523 3.008 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.548 -1.349 1.539 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.690 0.977 3.297 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.834 2.235 2.658 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 CONECT 3 2 4 18 49 CONECT 4 3 5 6 CONECT 5 4 50 51 52 CONECT 6 4 7 53 CONECT 7 6 8 54 CONECT 8 7 9 55 CONECT 9 8 10 11 CONECT 10 9 56 57 58 CONECT 11 9 12 59 CONECT 12 11 13 17 CONECT 13 12 14 60 CONECT 14 13 15 CONECT 15 14 16 17 CONECT 16 15 61 62 63 CONECT 17 15 12 CONECT 18 3 19 20 64 CONECT 19 18 65 66 67 CONECT 20 18 21 45 68 CONECT 21 20 22 69 70 CONECT 22 21 23 24 71 CONECT 23 22 72 CONECT 24 22 25 26 27 CONECT 25 24 73 74 75 CONECT 26 24 27 CONECT 27 26 28 24 76 CONECT 28 27 29 77 CONECT 29 28 30 78 CONECT 30 29 31 32 79 CONECT 31 30 80 81 82 CONECT 32 30 33 34 83 CONECT 33 32 84 CONECT 34 32 35 85 86 CONECT 35 34 36 40 87 CONECT 36 35 37 88 89 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 90 CONECT 40 35 41 91 92 CONECT 41 40 42 93 CONECT 42 41 43 94 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 20 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 3 CONECT 50 5 CONECT 51 5 CONECT 52 5 CONECT 53 6 CONECT 54 7 CONECT 55 8 CONECT 56 10 CONECT 57 10 CONECT 58 10 CONECT 59 11 CONECT 60 13 CONECT 61 16 CONECT 62 16 CONECT 63 16 CONECT 64 18 CONECT 65 19 CONECT 66 19 CONECT 67 19 CONECT 68 20 CONECT 69 21 CONECT 70 21 CONECT 71 22 CONECT 72 23 CONECT 73 25 CONECT 74 25 CONECT 75 25 CONECT 76 27 CONECT 77 28 CONECT 78 29 CONECT 79 30 CONECT 80 31 CONECT 81 31 CONECT 82 31 CONECT 83 32 CONECT 84 33 CONECT 85 34 CONECT 86 34 CONECT 87 35 CONECT 88 36 CONECT 89 36 CONECT 90 39 CONECT 91 40 CONECT 92 40 CONECT 93 41 CONECT 94 42 MASTER 0 0 0 0 0 0 0 0 94 0 192 0 END SMILES for NP0006545 (Rhizoxin S2)[H]OC(=O)C([H])([H])[C@]1([H])C([H])([H])\C([H])=C([H])/C(=O)O[C@@]([H])(C([H])([H])[C@]([H])(O[H])[C@@]2(O[C@]2([H])\C([H])=C([H])/[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C1([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])C1=C([H])OC(=N1)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H] INCHI for NP0006545 (Rhizoxin S2)InChI=1S/C35H49NO9/c1-21(16-27-20-43-25(5)36-27)10-8-11-23(3)34(42-7)24(4)29-19-30(38)35(6)31(45-35)15-14-22(2)28(37)17-26(18-32(39)40)12-9-13-33(41)44-29/h8-11,13-16,20,22,24,26,28-31,34,37-38H,12,17-19H2,1-7H3,(H,39,40)/b10-8+,13-9-,15-14-,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35+/m1/s1 3D Structure for NP0006545 (Rhizoxin S2) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C35H49NO9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 627.7750 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 627.34073 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-[(1S,2S,4S,7Z,10R,12R,13R,14Z,16R)-2,12-dihydroxy-4-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(1S,2S,4S,7Z,10R,12R,13R,14Z,16R)-2,12-dihydroxy-4-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CO[C@H]([C@@H](C)C1C[C@H](O)C2(C)O[C@@H]2\C=C/[C@@H](C)C(O)C[C@H](CC(O)=O)C\C=C/C(=O)O1)C(\C)=C\C=C\C(\C)=C\C1=COC(C)=N1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C35H49NO9/c1-21(16-27-20-43-25(5)36-27)10-8-11-23(3)34(42-7)24(4)29-19-30(38)35(6)31(45-35)15-14-22(2)28(37)17-26(18-32(39)40)12-9-13-33(41)44-29/h8-11,13-16,20,22,24,26,28-31,34,37-38H,12,17-19H2,1-7H3,(H,39,40)/b10-8+,13-9-,15-14-,21-16+,23-11+/t22-,24+,26-,28?,29?,30+,31-,34+,35?/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FAIGGHHPKTYDHM-VRAWKDPKSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Prenol lipids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Terpene lactones | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | Terpene lactones | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents |
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Substituents |
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Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA005181 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78445096 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139584540 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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