| Properties | Image |
|---|
| MNX_ID | MNXM1191513 |
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| reference | envipathM:...0c3404cde85a |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | VULIMVBNLXZMLL-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-21-30-44(59)31-22-14-10-9-11-17-28-38-55(64)71-45(43-70-54(63)37-27-19-13-16-24-35-49-51(74-49)40-50-48(73-50)32-7-5-2)42-69-53(62)36-26-18-12-15-23-33-46-47(72-46)34-25-20-29-39-57(3,67)58(68,56(65)66)41-52(60)61/h21-22,30-31,44-51,59,67-68H,4-20,23-29,32-43H2,1-3H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(C)(O)C(O)(CC(=O)[O-])C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-21-30-44(59)31-22-14-10-9-11-17-28-38-55(64)71-45(43-70-54(63)37-27-19-13-16-24-35-49-51(74-49)40-50-48(73-50)32-7-5-2)42-69-53(62)36-26-18-12-15-23-33-46-47(72-46)34-25-20-29-39-57(3,67)58(68,56(65)66)41-52(60)61/h21-22,30-31,44-51,59,67-68H,4-20,23-29,32-43H2,1-3H3,(H,60,61)(H,65,66)/b30-21?,31-22?/t44?,45?,46?,47?,48?,49?,50?,51?,57?,58? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:21]=[CH:30][CH:44]([CH:31]=[CH:22][CH2:14][CH2:10][CH2:9][CH2:11][CH2:17][CH2:28][CH2:38][C:55](=[O:64])[O:71][CH:45]([CH2:42][O:69][C:53]([CH2:36][CH2:26][CH2:18][CH2:12][CH2:15][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:25][CH2:20][CH2:29][CH2:39][C:57]([CH3:3])([C:58]([CH2:41][C:52](=[O:60])[OH:61])([C:56](=[O:65])[OH:66])[OH:68])[OH:67])[O:72]1)=[O:62])[CH2:43][O:70][C:54]([CH2:37][CH2:27][CH2:19][CH2:13][CH2:16][CH2:24][CH2:35][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:32][CH2:7][CH2:5][CH3:2])[O:73]2)[O:74]1)=[O:63])[OH:59] |
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