Showing NP-Card for pratialin B (NP0030663)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-19 21:57:32 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-29 23:58:47 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0030663 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | pratialin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | pratialin B is found in Pratia nummularia. It was first documented in 2003 (Ishimaru, K., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0030663 (pratialin B)Mrv1652306192123573D 98100 0 0 0 0 999 V2000 4.5835 -4.4068 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -3.5993 -4.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 -4.0849 -3.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 -3.2639 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 -2.5490 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 -1.5854 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -0.7925 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 0.2086 0.4474 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3447 1.0289 1.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 1.0996 -0.3182 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0714 1.7214 -1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 1.3812 -2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 2.0331 -4.0300 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2835 1.0917 -4.7615 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6125 0.9104 -4.0365 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4167 -0.0158 -4.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 0.3179 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 1.1099 -0.7192 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4179 1.6298 0.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 0.7088 1.4882 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2386 0.7730 2.8218 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0411 0.0118 2.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 -0.4109 3.9428 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0690 -0.3103 3.7952 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 -0.7831 4.9198 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1722 -0.6069 4.5736 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5094 -1.4349 3.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.1035 2.8924 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6739 0.1152 2.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 0.5025 1.5312 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6873 1.8526 0.8302 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6861 1.7689 -0.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4009 -0.5739 0.5495 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7046 -0.2465 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -1.9297 1.2548 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8074 -2.9468 0.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -2.2602 1.9556 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3293 -3.4910 2.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.2443 5.2443 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0026 -2.6584 6.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.4046 5.4141 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4665 -3.7954 5.6166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 -1.8758 4.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3127 -2.0302 4.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 -0.7312 0.9672 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8217 -1.5623 1.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -0.6777 -0.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9863 -2.0125 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 0.2407 -1.3822 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1254 1.0653 -2.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 -5.4412 -5.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -4.4225 -4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -3.9605 -6.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 -2.5586 -4.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -5.1213 -3.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.3317 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 0.4675 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 1.9222 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 2.5014 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 0.5822 -3.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 2.3348 -4.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.9525 -3.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 1.4949 -5.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 0.1141 -4.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 1.8592 -3.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 0.5365 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -0.8961 -4.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 1.9743 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0035 1.0964 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.3760 3.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 1.8055 3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 0.2513 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 -0.1421 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 -0.8833 5.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.4435 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -1.0048 3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 0.6637 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 2.2118 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 2.6043 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 1.5430 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -0.6530 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -1.0073 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -1.9336 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -3.7953 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 -2.4389 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 -3.5987 3.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -2.9152 4.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -3.5221 6.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -1.8936 6.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 -3.8554 5.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 -2.4960 3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 -1.8718 3.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1379 -1.2085 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2457 -2.2623 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8739 -0.3372 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -2.3425 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6794 -0.3540 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7562 0.4652 -2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 35 33 1 0 0 0 0 4 3 1 0 0 0 0 33 30 1 0 0 0 0 3 2 2 0 0 0 0 7 8 1 0 0 0 0 2 1 1 0 0 0 0 30 29 1 0 0 0 0 8 10 1 0 0 0 0 29 28 1 0 0 0 0 10 11 1 0 0 0 0 37 38 1 0 0 0 0 11 12 2 0 0 0 0 33 34 1 0 0 0 0 12 13 1 0 0 0 0 35 36 1 0 0 0 0 13 14 1 0 0 0 0 23 43 1 0 0 0 0 43 41 1 0 0 0 0 41 39 1 0 0 0 0 39 25 1 0 0 0 0 25 24 1 0 0 0 0 24 23 1 0 0 0 0 43 44 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 14 15 1 0 0 0 0 23 22 1 0 0 0 0 15 16 1 0 0 0 0 28 37 1 0 0 0 0 8 9 1 0 0 0 0 31 32 1 0 0 0 0 7 6 3 0 0 0 0 37 35 1 0 0 0 0 6 5 1 0 0 0 0 28 27 1 0 0 0 0 5 4 3 0 0 0 0 18 49 1 0 0 0 0 49 47 1 0 0 0 0 47 45 1 0 0 0 0 45 20 1 0 0 0 0 20 19 1 0 0 0 0 19 18 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 22 21 1 0 0 0 0 10 17 1 0 0 0 0 26 27 1 0 0 0 0 30 31 1 0 0 0 0 18 17 1 0 0 0 0 20 21 1 0 0 0 0 25 26 1 0 0 0 0 38 86 1 0 0 0 0 28 76 1 1 0 0 0 33 81 1 6 0 0 0 34 82 1 0 0 0 0 35 83 1 1 0 0 0 36 84 1 0 0 0 0 37 85 1 6 0 0 0 30 77 1 1 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 8 56 1 1 0 0 0 10 58 1 1 0 0 0 11 59 1 0 0 0 0 12 60 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 16 67 1 0 0 0 0 9 57 1 0 0 0 0 3 55 1 0 0 0 0 2 54 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 18 68 1 6 0 0 0 44 92 1 0 0 0 0 23 72 1 1 0 0 0 39 87 1 6 0 0 0 40 88 1 0 0 0 0 41 89 1 1 0 0 0 42 90 1 0 0 0 0 43 91 1 6 0 0 0 25 73 1 1 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 45 93 1 6 0 0 0 46 94 1 0 0 0 0 47 95 1 1 0 0 0 48 96 1 0 0 0 0 49 97 1 6 0 0 0 50 98 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 20 69 1 1 0 0 0 M END 3D MOL for NP0030663 (pratialin B)RDKit 3D 98100 0 0 0 0 0 0 0 0999 V2000 4.5835 -4.4068 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -3.5993 -4.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 -4.0849 -3.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 -3.2639 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 -2.5490 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 -1.5854 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -0.7925 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 0.2086 0.4474 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3447 1.0289 1.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 1.0996 -0.3182 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0714 1.7214 -1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 1.3812 -2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 2.0331 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 1.0917 -4.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.9104 -4.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0158 -4.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 0.3179 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 1.1099 -0.7192 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4179 1.6298 0.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 0.7088 1.4882 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2386 0.7730 2.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 0.0118 2.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 -0.4109 3.9428 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0690 -0.3103 3.7952 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 -0.7831 4.9198 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1722 -0.6069 4.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -1.4349 3.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.1035 2.8924 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6739 0.1152 2.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 0.5025 1.5312 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6873 1.8526 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 1.7689 -0.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4009 -0.5739 0.5495 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7046 -0.2465 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -1.9297 1.2548 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8074 -2.9468 0.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -2.2602 1.9556 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3293 -3.4910 2.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.2443 5.2443 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0026 -2.6584 6.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.4046 5.4141 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4665 -3.7954 5.6166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 -1.8758 4.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3127 -2.0302 4.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 -0.7312 0.9672 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8217 -1.5623 1.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -0.6777 -0.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9863 -2.0125 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 0.2407 -1.3822 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1254 1.0653 -2.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 -5.4412 -5.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -4.4225 -4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -3.9605 -6.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 -2.5586 -4.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -5.1213 -3.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.3317 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 0.4675 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 1.9222 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 2.5014 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 0.5822 -3.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 2.3348 -4.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.9525 -3.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 1.4949 -5.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 0.1141 -4.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 1.8592 -3.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 0.5365 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -0.8961 -4.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 1.9743 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0035 1.0964 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.3760 3.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 1.8055 3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 0.2513 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 -0.1421 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 -0.8833 5.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.4435 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -1.0048 3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 0.6637 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 2.2118 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 2.6043 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 1.5430 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -0.6530 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -1.0073 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -1.9336 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -3.7953 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 -2.4389 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 -3.5987 3.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -2.9152 4.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -3.5221 6.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -1.8936 6.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 -3.8554 5.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 -2.4960 3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 -1.8718 3.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1379 -1.2085 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2457 -2.2623 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8739 -0.3372 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -2.3425 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6794 -0.3540 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7562 0.4652 -2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 35 33 1 0 4 3 1 0 33 30 1 0 3 2 2 0 7 8 1 0 2 1 1 0 30 29 1 0 8 10 1 0 29 28 1 0 10 11 1 0 37 38 1 0 11 12 2 0 33 34 1 0 12 13 1 0 35 36 1 0 13 14 1 0 23 43 1 0 43 41 1 0 41 39 1 0 39 25 1 0 25 24 1 0 24 23 1 0 43 44 1 0 39 40 1 0 41 42 1 0 14 15 1 0 23 22 1 0 15 16 1 0 28 37 1 0 8 9 1 0 31 32 1 0 7 6 3 0 37 35 1 0 6 5 1 0 28 27 1 0 5 4 3 0 18 49 1 0 49 47 1 0 47 45 1 0 45 20 1 0 20 19 1 0 19 18 1 0 45 46 1 0 47 48 1 0 49 50 1 0 22 21 1 0 10 17 1 0 26 27 1 0 30 31 1 0 18 17 1 0 20 21 1 0 25 26 1 0 38 86 1 0 28 76 1 1 33 81 1 6 34 82 1 0 35 83 1 1 36 84 1 0 37 85 1 6 30 77 1 1 31 78 1 0 31 79 1 0 32 80 1 0 8 56 1 1 10 58 1 1 11 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 9 57 1 0 3 55 1 0 2 54 1 0 1 51 1 0 1 52 1 0 1 53 1 0 18 68 1 6 44 92 1 0 23 72 1 1 39 87 1 6 40 88 1 0 41 89 1 1 42 90 1 0 43 91 1 6 25 73 1 1 26 74 1 0 26 75 1 0 45 93 1 6 46 94 1 0 47 95 1 1 48 96 1 0 49 97 1 6 50 98 1 0 21 70 1 0 21 71 1 0 20 69 1 1 M END 3D SDF for NP0030663 (pratialin B)Mrv1652306192123573D 98100 0 0 0 0 999 V2000 4.5835 -4.4068 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -3.5993 -4.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 -4.0849 -3.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 -3.2639 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 -2.5490 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 -1.5854 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -0.7925 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 0.2086 0.4474 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3447 1.0289 1.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 1.0996 -0.3182 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0714 1.7214 -1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 1.3812 -2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 2.0331 -4.0300 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2835 1.0917 -4.7615 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6125 0.9104 -4.0365 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4167 -0.0158 -4.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 0.3179 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 1.1099 -0.7192 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4179 1.6298 0.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 0.7088 1.4882 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2386 0.7730 2.8218 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0411 0.0118 2.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 -0.4109 3.9428 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0690 -0.3103 3.7952 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 -0.7831 4.9198 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1722 -0.6069 4.5736 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5094 -1.4349 3.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.1035 2.8924 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6739 0.1152 2.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 0.5025 1.5312 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6873 1.8526 0.8302 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6861 1.7689 -0.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4009 -0.5739 0.5495 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7046 -0.2465 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -1.9297 1.2548 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8074 -2.9468 0.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -2.2602 1.9556 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3293 -3.4910 2.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.2443 5.2443 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0026 -2.6584 6.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.4046 5.4141 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4665 -3.7954 5.6166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 -1.8758 4.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3127 -2.0302 4.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 -0.7312 0.9672 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8217 -1.5623 1.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -0.6777 -0.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9863 -2.0125 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 0.2407 -1.3822 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1254 1.0653 -2.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 -5.4412 -5.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -4.4225 -4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -3.9605 -6.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 -2.5586 -4.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -5.1213 -3.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.3317 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 0.4675 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 1.9222 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 2.5014 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 0.5822 -3.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 2.3348 -4.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.9525 -3.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 1.4949 -5.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 0.1141 -4.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 1.8592 -3.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 0.5365 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -0.8961 -4.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 1.9743 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0035 1.0964 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.3760 3.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 1.8055 3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 0.2513 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 -0.1421 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 -0.8833 5.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.4435 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -1.0048 3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 0.6637 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 2.2118 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 2.6043 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 1.5430 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -0.6530 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -1.0073 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -1.9336 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -3.7953 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 -2.4389 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 -3.5987 3.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -2.9152 4.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -3.5221 6.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -1.8936 6.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 -3.8554 5.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 -2.4960 3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 -1.8718 3.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1379 -1.2085 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2457 -2.2623 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8739 -0.3372 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -2.3425 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6794 -0.3540 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7562 0.4652 -2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 35 33 1 0 0 0 0 4 3 1 0 0 0 0 33 30 1 0 0 0 0 3 2 2 0 0 0 0 7 8 1 0 0 0 0 2 1 1 0 0 0 0 30 29 1 0 0 0 0 8 10 1 0 0 0 0 29 28 1 0 0 0 0 10 11 1 0 0 0 0 37 38 1 0 0 0 0 11 12 2 0 0 0 0 33 34 1 0 0 0 0 12 13 1 0 0 0 0 35 36 1 0 0 0 0 13 14 1 0 0 0 0 23 43 1 0 0 0 0 43 41 1 0 0 0 0 41 39 1 0 0 0 0 39 25 1 0 0 0 0 25 24 1 0 0 0 0 24 23 1 0 0 0 0 43 44 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 14 15 1 0 0 0 0 23 22 1 0 0 0 0 15 16 1 0 0 0 0 28 37 1 0 0 0 0 8 9 1 0 0 0 0 31 32 1 0 0 0 0 7 6 3 0 0 0 0 37 35 1 0 0 0 0 6 5 1 0 0 0 0 28 27 1 0 0 0 0 5 4 3 0 0 0 0 18 49 1 0 0 0 0 49 47 1 0 0 0 0 47 45 1 0 0 0 0 45 20 1 0 0 0 0 20 19 1 0 0 0 0 19 18 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 22 21 1 0 0 0 0 10 17 1 0 0 0 0 26 27 1 0 0 0 0 30 31 1 0 0 0 0 18 17 1 0 0 0 0 20 21 1 0 0 0 0 25 26 1 0 0 0 0 38 86 1 0 0 0 0 28 76 1 1 0 0 0 33 81 1 6 0 0 0 34 82 1 0 0 0 0 35 83 1 1 0 0 0 36 84 1 0 0 0 0 37 85 1 6 0 0 0 30 77 1 1 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 8 56 1 1 0 0 0 10 58 1 1 0 0 0 11 59 1 0 0 0 0 12 60 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 16 67 1 0 0 0 0 9 57 1 0 0 0 0 3 55 1 0 0 0 0 2 54 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 18 68 1 6 0 0 0 44 92 1 0 0 0 0 23 72 1 1 0 0 0 39 87 1 6 0 0 0 40 88 1 0 0 0 0 41 89 1 1 0 0 0 42 90 1 0 0 0 0 43 91 1 6 0 0 0 25 73 1 1 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 45 93 1 6 0 0 0 46 94 1 0 0 0 0 47 95 1 1 0 0 0 48 96 1 0 0 0 0 49 97 1 6 0 0 0 50 98 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 20 69 1 1 0 0 0 M END > <DATABASE_ID> NP0030663 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])[C@@]([H])(O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])C#CC#C\C([H])=C(/[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C32H48O18/c1-2-3-4-5-7-10-16(35)17(11-8-6-9-12-33)47-32-29(44)26(41)23(38)20(50-32)15-46-31-28(43)25(40)22(37)19(49-31)14-45-30-27(42)24(39)21(36)18(13-34)48-30/h2-3,8,11,16-44H,6,9,12-15H2,1H3/b3-2+,11-8+/t16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,30-,31-,32-/m1/s1 > <INCHI_KEY> FBLZLVLZLQKTQA-DFUFVDIRSA-N > <FORMULA> C32H48O18 > <MOLECULAR_WEIGHT> 720.718 > <EXACT_MASS> 720.284064706 > <JCHEM_ACCEPTOR_COUNT> 18 > <JCHEM_ATOM_COUNT> 98 > <JCHEM_AVERAGE_POLARIZABILITY> 71.50406723187554 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 12 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R,3R,4S,5S,6R)-2-{[(4E,6R,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > <ALOGPS_LOGP> -0.85 > <JCHEM_LOGP> -3.7657355390000005 > <ALOGPS_LOGS> -2.86 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.08913192287754 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.674320214349255 > <JCHEM_PKA_STRONGEST_BASIC> -3.6486684650801875 > <JCHEM_POLAR_SURFACE_AREA> 298.14 > <JCHEM_REFRACTIVITY> 169.06380000000007 > <JCHEM_ROTATABLE_BOND_COUNT> 17 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 9.96e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R,3R,4S,5S,6R)-2-{[(4E,6R,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0030663 (pratialin B)RDKit 3D 98100 0 0 0 0 0 0 0 0999 V2000 4.5835 -4.4068 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -3.5993 -4.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 -4.0849 -3.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 -3.2639 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 -2.5490 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 -1.5854 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -0.7925 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 0.2086 0.4474 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3447 1.0289 1.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 1.0996 -0.3182 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0714 1.7214 -1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 1.3812 -2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 2.0331 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 1.0917 -4.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.9104 -4.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0158 -4.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 0.3179 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 1.1099 -0.7192 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4179 1.6298 0.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 0.7088 1.4882 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2386 0.7730 2.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 0.0118 2.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 -0.4109 3.9428 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0690 -0.3103 3.7952 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 -0.7831 4.9198 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1722 -0.6069 4.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -1.4349 3.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.1035 2.8924 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6739 0.1152 2.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 0.5025 1.5312 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6873 1.8526 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 1.7689 -0.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4009 -0.5739 0.5495 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7046 -0.2465 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -1.9297 1.2548 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8074 -2.9468 0.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -2.2602 1.9556 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3293 -3.4910 2.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.2443 5.2443 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0026 -2.6584 6.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.4046 5.4141 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4665 -3.7954 5.6166 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 -1.8758 4.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3127 -2.0302 4.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 -0.7312 0.9672 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8217 -1.5623 1.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -0.6777 -0.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9863 -2.0125 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 0.2407 -1.3822 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1254 1.0653 -2.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 -5.4412 -5.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -4.4225 -4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -3.9605 -6.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 -2.5586 -4.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -5.1213 -3.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.3317 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 0.4675 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 1.9222 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 2.5014 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 0.5822 -3.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 2.3348 -4.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.9525 -3.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 1.4949 -5.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 0.1141 -4.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 1.8592 -3.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 0.5365 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -0.8961 -4.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 1.9743 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0035 1.0964 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.3760 3.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 1.8055 3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 0.2513 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 -0.1421 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 -0.8833 5.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.4435 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -1.0048 3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 0.6637 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 2.2118 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 2.6043 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 1.5430 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -0.6530 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -1.0073 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -1.9336 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -3.7953 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 -2.4389 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 -3.5987 3.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -2.9152 4.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -3.5221 6.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -1.8936 6.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 -3.8554 5.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 -2.4960 3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 -1.8718 3.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1379 -1.2085 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2457 -2.2623 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8739 -0.3372 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -2.3425 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6794 -0.3540 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7562 0.4652 -2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 35 33 1 0 4 3 1 0 33 30 1 0 3 2 2 0 7 8 1 0 2 1 1 0 30 29 1 0 8 10 1 0 29 28 1 0 10 11 1 0 37 38 1 0 11 12 2 0 33 34 1 0 12 13 1 0 35 36 1 0 13 14 1 0 23 43 1 0 43 41 1 0 41 39 1 0 39 25 1 0 25 24 1 0 24 23 1 0 43 44 1 0 39 40 1 0 41 42 1 0 14 15 1 0 23 22 1 0 15 16 1 0 28 37 1 0 8 9 1 0 31 32 1 0 7 6 3 0 37 35 1 0 6 5 1 0 28 27 1 0 5 4 3 0 18 49 1 0 49 47 1 0 47 45 1 0 45 20 1 0 20 19 1 0 19 18 1 0 45 46 1 0 47 48 1 0 49 50 1 0 22 21 1 0 10 17 1 0 26 27 1 0 30 31 1 0 18 17 1 0 20 21 1 0 25 26 1 0 38 86 1 0 28 76 1 1 33 81 1 6 34 82 1 0 35 83 1 1 36 84 1 0 37 85 1 6 30 77 1 1 31 78 1 0 31 79 1 0 32 80 1 0 8 56 1 1 10 58 1 1 11 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 9 57 1 0 3 55 1 0 2 54 1 0 1 51 1 0 1 52 1 0 1 53 1 0 18 68 1 6 44 92 1 0 23 72 1 1 39 87 1 6 40 88 1 0 41 89 1 1 42 90 1 0 43 91 1 6 25 73 1 1 26 74 1 0 26 75 1 0 45 93 1 6 46 94 1 0 47 95 1 1 48 96 1 0 49 97 1 6 50 98 1 0 21 70 1 0 21 71 1 0 20 69 1 1 M END PDB for NP0030663 (pratialin B)HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 4.583 -4.407 -5.275 0.00 0.00 C+0 HETATM 2 C UNK 0 3.756 -3.599 -4.330 0.00 0.00 C+0 HETATM 3 C UNK 0 2.707 -4.085 -3.651 0.00 0.00 C+0 HETATM 4 C UNK 0 1.961 -3.264 -2.765 0.00 0.00 C+0 HETATM 5 C UNK 0 1.342 -2.549 -2.026 0.00 0.00 C+0 HETATM 6 C UNK 0 0.579 -1.585 -1.103 0.00 0.00 C+0 HETATM 7 C UNK 0 0.014 -0.793 -0.401 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.654 0.209 0.447 0.00 0.00 C+0 HETATM 9 O UNK 0 0.345 1.029 1.063 0.00 0.00 O+0 HETATM 10 C UNK 0 -1.677 1.100 -0.318 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.071 1.721 -1.567 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.324 1.381 -2.843 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.673 2.033 -4.030 0.00 0.00 C+0 HETATM 14 C UNK 0 0.284 1.092 -4.761 0.00 0.00 C+0 HETATM 15 C UNK 0 1.613 0.910 -4.037 0.00 0.00 C+0 HETATM 16 O UNK 0 2.417 -0.016 -4.761 0.00 0.00 O+0 HETATM 17 O UNK 0 -2.845 0.318 -0.629 0.00 0.00 O+0 HETATM 18 C UNK 0 -4.037 1.110 -0.719 0.00 0.00 C+0 HETATM 19 O UNK 0 -4.418 1.630 0.556 0.00 0.00 O+0 HETATM 20 C UNK 0 -4.997 0.709 1.488 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.239 0.773 2.822 0.00 0.00 C+0 HETATM 22 O UNK 0 -3.041 0.012 2.702 0.00 0.00 O+0 HETATM 23 C UNK 0 -2.484 -0.411 3.943 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.069 -0.310 3.795 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.317 -0.783 4.920 0.00 0.00 C+0 HETATM 26 C UNK 0 1.172 -0.607 4.574 0.00 0.00 C+0 HETATM 27 O UNK 0 1.509 -1.435 3.451 0.00 0.00 O+0 HETATM 28 C UNK 0 2.785 -1.103 2.892 0.00 0.00 C+0 HETATM 29 O UNK 0 2.674 0.115 2.163 0.00 0.00 O+0 HETATM 30 C UNK 0 3.909 0.502 1.531 0.00 0.00 C+0 HETATM 31 C UNK 0 3.687 1.853 0.830 0.00 0.00 C+0 HETATM 32 O UNK 0 2.686 1.769 -0.183 0.00 0.00 O+0 HETATM 33 C UNK 0 4.401 -0.574 0.550 0.00 0.00 C+0 HETATM 34 O UNK 0 5.705 -0.247 0.056 0.00 0.00 O+0 HETATM 35 C UNK 0 4.484 -1.930 1.255 0.00 0.00 C+0 HETATM 36 O UNK 0 4.807 -2.947 0.293 0.00 0.00 O+0 HETATM 37 C UNK 0 3.172 -2.260 1.956 0.00 0.00 C+0 HETATM 38 O UNK 0 3.329 -3.491 2.681 0.00 0.00 O+0 HETATM 39 C UNK 0 -0.654 -2.244 5.244 0.00 0.00 C+0 HETATM 40 O UNK 0 -0.003 -2.658 6.449 0.00 0.00 O+0 HETATM 41 C UNK 0 -2.165 -2.405 5.414 0.00 0.00 C+0 HETATM 42 O UNK 0 -2.466 -3.795 5.617 0.00 0.00 O+0 HETATM 43 C UNK 0 -2.902 -1.876 4.187 0.00 0.00 C+0 HETATM 44 O UNK 0 -4.313 -2.030 4.413 0.00 0.00 O+0 HETATM 45 C UNK 0 -5.114 -0.731 0.967 0.00 0.00 C+0 HETATM 46 O UNK 0 -5.822 -1.562 1.901 0.00 0.00 O+0 HETATM 47 C UNK 0 -5.845 -0.678 -0.372 0.00 0.00 C+0 HETATM 48 O UNK 0 -5.986 -2.013 -0.890 0.00 0.00 O+0 HETATM 49 C UNK 0 -5.136 0.241 -1.382 0.00 0.00 C+0 HETATM 50 O UNK 0 -6.125 1.065 -2.021 0.00 0.00 O+0 HETATM 51 H UNK 0 4.234 -5.441 -5.352 0.00 0.00 H+0 HETATM 52 H UNK 0 5.625 -4.423 -4.939 0.00 0.00 H+0 HETATM 53 H UNK 0 4.551 -3.961 -6.274 0.00 0.00 H+0 HETATM 54 H UNK 0 4.053 -2.559 -4.204 0.00 0.00 H+0 HETATM 55 H UNK 0 2.403 -5.121 -3.761 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.180 -0.332 1.235 0.00 0.00 H+0 HETATM 57 H UNK 0 0.750 0.468 1.758 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.957 1.922 0.353 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.338 2.501 -1.364 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.029 0.582 -3.060 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.470 2.335 -4.720 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.149 2.953 -3.741 0.00 0.00 H+0 HETATM 63 H UNK 0 0.489 1.495 -5.762 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.186 0.114 -4.931 0.00 0.00 H+0 HETATM 65 H UNK 0 2.156 1.859 -3.985 0.00 0.00 H+0 HETATM 66 H UNK 0 1.484 0.537 -3.018 0.00 0.00 H+0 HETATM 67 H UNK 0 2.027 -0.896 -4.618 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.849 1.974 -1.367 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.003 1.096 1.693 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.871 0.376 3.623 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.967 1.806 3.067 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.809 0.251 4.755 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.537 -0.142 5.783 0.00 0.00 H+0 HETATM 74 H UNK 0 1.807 -0.883 5.423 0.00 0.00 H+0 HETATM 75 H UNK 0 1.354 0.444 4.318 0.00 0.00 H+0 HETATM 76 H UNK 0 3.516 -1.005 3.706 0.00 0.00 H+0 HETATM 77 H UNK 0 4.663 0.664 2.314 0.00 0.00 H+0 HETATM 78 H UNK 0 4.611 2.212 0.366 0.00 0.00 H+0 HETATM 79 H UNK 0 3.354 2.604 1.554 0.00 0.00 H+0 HETATM 80 H UNK 0 1.846 1.543 0.273 0.00 0.00 H+0 HETATM 81 H UNK 0 3.730 -0.653 -0.314 0.00 0.00 H+0 HETATM 82 H UNK 0 5.959 -1.007 -0.505 0.00 0.00 H+0 HETATM 83 H UNK 0 5.313 -1.934 1.974 0.00 0.00 H+0 HETATM 84 H UNK 0 4.656 -3.795 0.756 0.00 0.00 H+0 HETATM 85 H UNK 0 2.385 -2.439 1.214 0.00 0.00 H+0 HETATM 86 H UNK 0 2.501 -3.599 3.190 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.315 -2.915 4.446 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.408 -3.522 6.672 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.506 -1.894 6.323 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.441 -3.855 5.538 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.658 -2.496 3.315 0.00 0.00 H+0 HETATM 92 H UNK 0 -4.761 -1.872 3.553 0.00 0.00 H+0 HETATM 93 H UNK 0 -4.138 -1.208 0.827 0.00 0.00 H+0 HETATM 94 H UNK 0 -6.246 -2.262 1.361 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.874 -0.337 -0.203 0.00 0.00 H+0 HETATM 96 H UNK 0 -5.096 -2.342 -1.117 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.679 -0.354 -2.183 0.00 0.00 H+0 HETATM 98 H UNK 0 -6.756 0.465 -2.459 0.00 0.00 H+0 CONECT 1 2 51 52 53 CONECT 2 3 1 54 CONECT 3 4 2 55 CONECT 4 3 5 CONECT 5 6 4 CONECT 6 7 5 CONECT 7 8 6 CONECT 8 7 10 9 56 CONECT 9 8 57 CONECT 10 8 11 17 58 CONECT 11 10 12 59 CONECT 12 11 13 60 CONECT 13 12 14 61 62 CONECT 14 13 15 63 64 CONECT 15 14 16 65 66 CONECT 16 15 67 CONECT 17 10 18 CONECT 18 49 19 17 68 CONECT 19 20 18 CONECT 20 45 19 21 69 CONECT 21 22 20 70 71 CONECT 22 23 21 CONECT 23 43 24 22 72 CONECT 24 25 23 CONECT 25 39 24 26 73 CONECT 26 27 25 74 75 CONECT 27 28 26 CONECT 28 29 37 27 76 CONECT 29 30 28 CONECT 30 33 29 31 77 CONECT 31 32 30 78 79 CONECT 32 31 80 CONECT 33 35 30 34 81 CONECT 34 33 82 CONECT 35 33 36 37 83 CONECT 36 35 84 CONECT 37 38 28 35 85 CONECT 38 37 86 CONECT 39 41 25 40 87 CONECT 40 39 88 CONECT 41 43 39 42 89 CONECT 42 41 90 CONECT 43 23 41 44 91 CONECT 44 43 92 CONECT 45 47 20 46 93 CONECT 46 45 94 CONECT 47 49 45 48 95 CONECT 48 47 96 CONECT 49 18 47 50 97 CONECT 50 49 98 CONECT 51 1 CONECT 52 1 CONECT 53 1 CONECT 54 2 CONECT 55 3 CONECT 56 8 CONECT 57 9 CONECT 58 10 CONECT 59 11 CONECT 60 12 CONECT 61 13 CONECT 62 13 CONECT 63 14 CONECT 64 14 CONECT 65 15 CONECT 66 15 CONECT 67 16 CONECT 68 18 CONECT 69 20 CONECT 70 21 CONECT 71 21 CONECT 72 23 CONECT 73 25 CONECT 74 26 CONECT 75 26 CONECT 76 28 CONECT 77 30 CONECT 78 31 CONECT 79 31 CONECT 80 32 CONECT 81 33 CONECT 82 34 CONECT 83 35 CONECT 84 36 CONECT 85 37 CONECT 86 38 CONECT 87 39 CONECT 88 40 CONECT 89 41 CONECT 90 42 CONECT 91 43 CONECT 92 44 CONECT 93 45 CONECT 94 46 CONECT 95 47 CONECT 96 48 CONECT 97 49 CONECT 98 50 MASTER 0 0 0 0 0 0 0 0 98 0 200 0 END SMILES for NP0030663 (pratialin B)[H]OC([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])[C@@]([H])(O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])C#CC#C\C([H])=C(/[H])C([H])([H])[H] INCHI for NP0030663 (pratialin B)InChI=1S/C32H48O18/c1-2-3-4-5-7-10-16(35)17(11-8-6-9-12-33)47-32-29(44)26(41)23(38)20(50-32)15-46-31-28(43)25(40)22(37)19(49-31)14-45-30-27(42)24(39)21(36)18(13-34)48-30/h2-3,8,11,16-44H,6,9,12-15H2,1H3/b3-2+,11-8+/t16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,30-,31-,32-/m1/s1 3D Structure for NP0030663 (pratialin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C32H48O18 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 720.7180 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 720.28406 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R,3R,4S,5S,6R)-2-{[(4E,6R,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R,3R,4S,5S,6R)-2-{[(4E,6R,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]OC([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])[C@@]([H])(O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])C#CC#C\C([H])=C(/[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C32H48O18/c1-2-3-4-5-7-10-16(35)17(11-8-6-9-12-33)47-32-29(44)26(41)23(38)20(50-32)15-46-31-28(43)25(40)22(37)19(49-31)14-45-30-27(42)24(39)21(36)18(13-34)48-30/h2-3,8,11,16-44H,6,9,12-15H2,1H3/b3-2+,11-8+/t16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,30-,31-,32-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FBLZLVLZLQKTQA-DFUFVDIRSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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