| Properties | Image |
|---|
| MNX_ID | MNXM148520 |
 |
| reference | metacycM:CPD-17374 |
| formula | C57H102O9 |
| global charge | 0 |
| mol weight | 931.434 |
| InChIKey | ZQPBAVRTRJHDII-USITZPDMSA-N |
| InChI | InChI=1S/C57H102O9/c58-49-43-37-31-25-19-13-7-1-4-10-16-22-28-34-40-46-55(61)64-51-45-39-33-27-21-15-9-3-6-11-17-23-29-35-41-47-56(62)65-53-54(52-60)66-57(63)48-42-36-30-24-18-12-5-2-8-14-20-26-32-38-44-50-59/h1-6,14,20,54,58-60H,7-13,15-19,21-53H2/b4-1-,5-2-,6-3-,20-14-/t54-/m0/s1 |
| SMILES | O=C(CCCCCCC/C=C\CCCCCCCCO)OCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C57H102O9/c58-49-43-37-31-25-19-13-7-1-4-10-16-22-28-34-40-46-55(61)64-51-45-39-33-27-21-15-9-3-6-11-17-23-29-35-41-47-56(62)65-53-54(52-60)66-57(63)48-42-36-30-24-18-12-5-2-8-14-20-26-32-38-44-50-59/h1-6,14,20,54,58-60H,7-13,15-19,21-53H2/b4-1-,5-2-,6-3-,20-14-/t54-/m0/s1 |
 |
| SMILES (mnx) | [CH:1](=[CH:4]\[CH2:10][CH2:16][CH2:22][CH2:28][CH2:34][CH2:40][CH2:46][C:55](=[O:61])[O:64][CH2:51][CH2:45][CH2:39][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9]/[CH:3]=[CH:6]\[CH2:11][CH2:17][CH2:23][CH2:29][CH2:35][CH2:41][CH2:47][C:56](=[O:62])[O:65][CH2:53][C@H:54]([CH2:52][OH:60])[O:66][C:57]([CH2:48][CH2:42][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12]/[CH:5]=[CH:2]\[CH2:8]/[CH:14]=[CH:20]\[CH2:26][CH2:32][CH2:38][CH2:44][CH2:50][OH:59])=[O:63])\[CH2:7][CH2:13][CH2:19][CH2:25][CH2:31][CH2:37][CH2:43][CH2:49][OH:58] |
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