Showing NP-Card for 13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione (NP0202435)
Record Information | ||||||||||||||||
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Version | 1.0 | |||||||||||||||
Created at | 2022-09-04 21:39:09 UTC | |||||||||||||||
Updated at | 2022-09-04 21:39:09 UTC | |||||||||||||||
NP-MRD ID | NP0202435 | |||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||
Natural Product Identification | ||||||||||||||||
Common Name | 13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione | |||||||||||||||
Description | 13,15,35,37-Tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]Hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Based on a literature review very few articles have been published on 13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]Hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione. | |||||||||||||||
Structure | MOL for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)Mrv1652309042223392D 94 98 0 0 0 0 999 V2000 2.5527 -5.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -5.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 -4.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 -4.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3604 -2.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -3.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -3.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1732 -3.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3192 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -2.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 -2.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6111 -0.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0175 -1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 -0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -0.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2996 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 0.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 2.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6179 2.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9355 2.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0608 3.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 4.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7395 5.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 5.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 6.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 7.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 7.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 8.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0925 9.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 9.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 9.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5734 9.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 10.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 10.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 10.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0239 9.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1699 10.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5397 11.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9461 11.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 10.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0921 11.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4619 12.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8683 12.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 12.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7904 13.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9364 14.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7126 14.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8585 15.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6347 15.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3428 13.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1968 12.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8270 12.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4206 12.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8220 9.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5774 9.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9672 10.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2718 8.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8878 8.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4832 9.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4105 7.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0878 8.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8268 7.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5695 7.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2519 6.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1266 6.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3025 5.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1273 5.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5248 4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0976 4.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2728 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0590 3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7276 2.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2820 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 0.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5658 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3827 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6141 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9201 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 -0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8752 4.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 4.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -4.4651 0.0000 C 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 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 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 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 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 38 37 1 4 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 41 39 1 4 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 57 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 55 63 1 0 0 0 0 46 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 72 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 84 83 1 4 0 0 0 84 85 2 0 0 0 0 85 86 1 0 0 0 0 87 85 1 4 0 0 0 87 88 2 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 89 91 1 0 0 0 0 17 91 1 0 0 0 0 80 92 1 0 0 0 0 76 92 1 0 0 0 0 34 93 1 0 0 0 0 30 93 1 0 0 0 0 8 94 1 0 0 0 0 3 94 1 0 0 0 0 M END 3D MOL for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)3D SDF for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)Mrv1652309042223392D 94 98 0 0 0 0 999 V2000 2.5527 -5.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -5.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 -4.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 -4.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3604 -2.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -3.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -3.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1732 -3.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3192 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -2.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 -2.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6111 -0.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0175 -1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 -0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -0.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2996 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 0.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 2.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6179 2.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9355 2.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0608 3.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 4.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7395 5.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 5.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 6.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 7.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 7.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 8.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0925 9.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 9.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 9.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5734 9.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 10.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 10.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 10.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0239 9.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1699 10.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5397 11.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9461 11.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 10.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0921 11.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4619 12.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8683 12.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 12.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7904 13.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9364 14.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7126 14.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8585 15.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6347 15.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3428 13.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1968 12.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8270 12.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4206 12.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8220 9.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5774 9.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9672 10.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2718 8.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8878 8.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4832 9.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4105 7.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0878 8.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8268 7.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5695 7.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2519 6.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1266 6.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3025 5.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1273 5.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5248 4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0976 4.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2728 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0590 3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7276 2.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2820 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 0.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5658 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3827 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6141 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9201 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 -0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8752 4.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 4.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -4.4651 0.0000 C 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 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 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 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 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 38 37 1 4 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 41 39 1 4 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 57 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 55 63 1 0 0 0 0 46 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 72 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 84 83 1 4 0 0 0 84 85 2 0 0 0 0 85 86 1 0 0 0 0 87 85 1 4 0 0 0 87 88 2 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 89 91 1 0 0 0 0 17 91 1 0 0 0 0 80 92 1 0 0 0 0 76 92 1 0 0 0 0 34 93 1 0 0 0 0 30 93 1 0 0 0 0 8 94 1 0 0 0 0 3 94 1 0 0 0 0 M END > <DATABASE_ID> NP0202435 > <DATABASE_NAME> NP-MRD > <SMILES> COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(CC3CC=CC(CCCC=C(C)C=CC(=O)OC(CC(O)CC(O)C(C)C(CC4CC=CC(CCCC=C(C)C=CC(=O)O2)O4)OC)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)O3)OC)C1 > <INCHI_IDENTIFIER> InChI=1S/C76H128O18/c1-47-21-15-17-23-59-25-19-27-61(91-59)45-69(87-13)54(8)68(80)40-58(78)42-72(56(10)76(84)50(4)32-34-64-44-66(86-12)38-52(6)90-64)94-74(82)36-30-48(2)22-16-18-24-60-26-20-28-62(92-60)46-70(88-14)53(7)67(79)39-57(77)41-71(93-73(81)35-29-47)55(9)75(83)49(3)31-33-63-43-65(85-11)37-51(5)89-63/h19-22,25-26,29-30,35-36,49-72,75-80,83-84H,15-18,23-24,27-28,31-34,37-46H2,1-14H3 > <INCHI_KEY> YBQSARBLARAWIZ-UHFFFAOYSA-N > <FORMULA> C76H128O18 > <MOLECULAR_WEIGHT> 1329.842 > <EXACT_MASS> 1328.910067282 > <JCHEM_ACCEPTOR_COUNT> 16 > <JCHEM_ATOM_COUNT> 222 > <JCHEM_AVERAGE_POLARIZABILITY> 154.34931647971294 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 6 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione > <JCHEM_LOGP> 8.838635677333338 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 14.421843881184191 > <JCHEM_PKA_STRONGEST_ACIDIC> 14.021442216707499 > <JCHEM_PKA_STRONGEST_BASIC> -2.7588323310563423 > <JCHEM_POLAR_SURFACE_AREA> 247.81999999999994 > <JCHEM_REFRACTIVITY> 373.8305999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 16 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)PDB for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)HEADER PROTEIN 04-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-SEP-22 0 HETATM 1 C UNK 0 4.765 -10.894 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 6.214 -10.372 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 6.486 -8.857 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.310 -7.863 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.582 -6.347 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 4.406 -5.353 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 7.031 -5.825 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 8.208 -6.819 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 9.657 -6.297 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 9.929 -4.782 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 11.378 -4.260 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 12.554 -5.253 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 11.650 -2.744 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 10.474 -1.750 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 13.099 -2.222 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 14.276 -3.216 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.372 -0.706 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 11.882 -0.316 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 10.472 0.303 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 9.744 -1.054 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 9.176 1.135 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 8.026 2.159 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 6.915 1.093 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 7.050 3.351 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 5.786 2.472 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 6.273 4.680 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 4.887 4.010 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 3.613 4.875 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 5.714 6.115 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 5.385 7.619 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 6.925 7.587 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 7.722 8.905 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 6.980 10.254 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 5.441 10.286 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 5.840 12.179 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 6.458 13.589 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 7.290 14.885 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 8.314 16.035 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 9.506 17.011 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 8.627 18.275 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 10.836 17.788 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 12.270 18.348 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 13.775 18.676 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 13.566 20.202 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 15.312 18.765 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 16.845 18.612 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 17.117 20.128 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 15.941 21.122 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 18.566 20.650 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 19.742 19.656 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 18.839 22.165 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 17.662 23.159 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 20.287 22.687 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 20.560 24.203 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 22.009 24.725 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 22.281 26.240 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 23.730 26.762 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 24.003 28.278 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 25.451 28.800 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 24.907 25.769 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 24.634 24.253 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 25.810 23.259 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 23.185 23.731 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 18.334 18.221 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 19.745 17.603 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 20.472 18.960 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 21.041 16.771 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 22.191 15.747 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 23.302 16.813 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 23.166 14.555 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 24.431 15.434 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 23.943 13.226 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 25.330 13.896 0.000 0.00 0.00 O+0 HETATM 74 C UNK 0 26.604 13.031 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 24.503 11.791 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 24.831 10.286 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 26.371 10.254 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 27.113 8.905 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 26.315 7.587 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 24.776 7.619 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 24.377 5.727 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 23.758 4.317 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 22.926 3.020 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 21.902 1.870 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 20.710 0.895 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 21.590 -0.370 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 19.381 0.118 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 17.946 -0.442 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 16.442 -0.770 0.000 0.00 0.00 C+0 HETATM 90 O UNK 0 16.651 -2.296 0.000 0.00 0.00 O+0 HETATM 91 O UNK 0 14.904 -0.859 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 24.034 8.969 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 4.643 8.969 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 7.935 -8.335 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 94 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 94 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 16 17 CONECT 16 15 CONECT 17 15 18 91 CONECT 18 17 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 27 29 CONECT 27 26 28 CONECT 28 27 CONECT 29 26 30 CONECT 30 29 31 93 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 93 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 CONECT 42 41 43 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 CONECT 46 45 47 64 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 51 CONECT 50 49 CONECT 51 49 52 53 CONECT 52 51 CONECT 53 51 54 CONECT 54 53 55 CONECT 55 54 56 63 CONECT 56 55 57 CONECT 57 56 58 60 CONECT 58 57 59 CONECT 59 58 CONECT 60 57 61 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 55 CONECT 64 46 65 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 68 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 71 72 CONECT 71 70 CONECT 72 70 73 75 CONECT 73 72 74 CONECT 74 73 CONECT 75 72 76 CONECT 76 75 77 92 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 80 CONECT 80 79 81 92 CONECT 81 80 82 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 CONECT 85 84 86 87 CONECT 86 85 CONECT 87 85 88 CONECT 88 87 89 CONECT 89 88 90 91 CONECT 90 89 CONECT 91 89 17 CONECT 92 80 76 CONECT 93 34 30 CONECT 94 8 3 MASTER 0 0 0 0 0 0 0 0 94 0 196 0 END 3D PDB for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)SMILES for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(CC3CC=CC(CCCC=C(C)C=CC(=O)OC(CC(O)CC(O)C(C)C(CC4CC=CC(CCCC=C(C)C=CC(=O)O2)O4)OC)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)O3)OC)C1 INCHI for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)InChI=1S/C76H128O18/c1-47-21-15-17-23-59-25-19-27-61(91-59)45-69(87-13)54(8)68(80)40-58(78)42-72(56(10)76(84)50(4)32-34-64-44-66(86-12)38-52(6)90-64)94-74(82)36-30-48(2)22-16-18-24-60-26-20-28-62(92-60)46-70(88-14)53(7)67(79)39-57(77)41-71(93-73(81)35-29-47)55(9)75(83)49(3)31-33-63-43-65(85-11)37-51(5)89-63/h19-22,25-26,29-30,35-36,49-72,75-80,83-84H,15-18,23-24,27-28,31-34,37-46H2,1-14H3 Structure for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)3D Structure for NP0202435 (13,15,35,37-tetrahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione) | |||||||||||||||
Synonyms | Not Available | |||||||||||||||
Chemical Formula | C76H128O18 | |||||||||||||||
Average Mass | 1329.8420 Da | |||||||||||||||
Monoisotopic Mass | 1328.91007 Da | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(CC3CC=CC(CCCC=C(C)C=CC(=O)OC(CC(O)CC(O)C(C)C(CC4CC=CC(CCCC=C(C)C=CC(=O)O2)O4)OC)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)O3)OC)C1 | |||||||||||||||
InChI Identifier | InChI=1S/C76H128O18/c1-47-21-15-17-23-59-25-19-27-61(91-59)45-69(87-13)54(8)68(80)40-58(78)42-72(56(10)76(84)50(4)32-34-64-44-66(86-12)38-52(6)90-64)94-74(82)36-30-48(2)22-16-18-24-60-26-20-28-62(92-60)46-70(88-14)53(7)67(79)39-57(77)41-71(93-73(81)35-29-47)55(9)75(83)49(3)31-33-63-43-65(85-11)37-51(5)89-63/h19-22,25-26,29-30,35-36,49-72,75-80,83-84H,15-18,23-24,27-28,31-34,37-46H2,1-14H3 | |||||||||||||||
InChI Key | YBQSARBLARAWIZ-UHFFFAOYSA-N | |||||||||||||||
Experimental Spectra | ||||||||||||||||
Not Available | ||||||||||||||||
Predicted Spectra | ||||||||||||||||
Not Available | ||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||
Not Available | ||||||||||||||||
Species | ||||||||||||||||
Species of Origin | Not Available | |||||||||||||||
Chemical Taxonomy | ||||||||||||||||
Description | Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. | |||||||||||||||
Kingdom | Organic compounds | |||||||||||||||
Super Class | Phenylpropanoids and polyketides | |||||||||||||||
Class | Macrolides and analogues | |||||||||||||||
Sub Class | Not Available | |||||||||||||||
Direct Parent | Macrolides and analogues | |||||||||||||||
Alternative Parents | ||||||||||||||||
Substituents |
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Molecular Framework | Aliphatic 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 | ||||||||||||||||
HMDB ID | Not Available | |||||||||||||||
DrugBank ID | Not Available | |||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||
FoodDB ID | Not Available | |||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||
Chemspider ID | Not Available | |||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||
BioCyc ID | Not Available | |||||||||||||||
BiGG ID | Not Available | |||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||
METLIN ID | Not Available | |||||||||||||||
PubChem Compound | 162968706 | |||||||||||||||
PDB ID | Not Available | |||||||||||||||
ChEBI ID | Not Available | |||||||||||||||
Good Scents ID | Not Available | |||||||||||||||
References | ||||||||||||||||
General References |
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