| Properties | Image |
|---|
| MNX_ID | MNXM19012 |
 |
| reference | metacycM:CPD-12263 |
| formula | C57H102O8 |
| global charge | 0 |
| mol weight | 915.435 |
| InChIKey | FBZUXZVZNSKVIG-XQRICNAWSA-N |
| InChI | InChI=1S/C57H102O8/c1-4-7-10-11-12-13-14-15-16-17-18-27-32-37-42-49-57(62)65-54(50-63-55(60)47-40-35-30-25-21-19-23-28-33-38-45-52(58)43-8-5-2)51-64-56(61)48-41-36-31-26-22-20-24-29-34-39-46-53(59)44-9-6-3/h12-13,15-16,33-34,38-39,52-54,58-59H,4-11,14,17-32,35-37,40-51H2,1-3H3/b13-12+,16-15+,38-33-,39-34- |
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CC(O)CCCC)COC(=O)CCCCCCCCC/C=C\CC(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H102O8/c1-4-7-10-11-12-13-14-15-16-17-18-27-32-37-42-49-57(62)65-54(50-63-55(60)47-40-35-30-25-21-19-23-28-33-38-45-52(58)43-8-5-2)51-64-56(61)48-41-36-31-26-22-20-24-29-34-39-46-53(59)44-9-6-3/h12-13,15-16,33-34,38-39,52-54,58-59H,4-11,14,17-32,35-37,40-51H2,1-3H3/b13-12+,16-15+,38-33-,39-34-/t52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:11]/[CH:12]=[CH:13]/[CH2:14]/[CH:15]=[CH:16]/[CH2:17][CH2:18][CH2:27][CH2:32][CH2:37][CH2:42][CH2:49][C:57](=[O:62])[O:65][CH:54]([CH2:50][O:63][C:55]([CH2:47][CH2:40][CH2:35][CH2:30][CH2:25][CH2:21][CH2:19][CH2:23][CH2:28]/[CH:33]=[CH:38]\[CH2:45][CH:52]([CH2:43][CH2:8][CH2:5][CH3:2])[OH:58])=[O:60])[CH2:51][O:64][C:56]([CH2:48][CH2:41][CH2:36][CH2:31][CH2:26][CH2:22][CH2:20][CH2:24][CH2:29]/[CH:34]=[CH:39]\[CH2:46][CH:53]([CH2:44][CH2:9][CH2:6][CH3:3])[OH:59])=[O:61] |
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