| Properties | Image |
|---|
| MNX_ID | MNXM120180 |
 |
| reference | hmdb:HMDB0037613 |
| formula | C33H58O15 |
| global charge | 0 |
| mol weight | 694.812 |
| InChIKey | WMXPZMBCAXYUAO-AWNIVKPZSA-N |
| InChI | InChI=1S/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6+ |
| SMILES | CC/C=C/CC(=O)OC(COC(=O)CCCCCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6+/t21?,22?,23?,26?,27?,28?,29?,30?,31?,32?,33? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:14][CH2:15][C:24](=[O:35])[O:43][CH2:18][CH:21]([CH2:19][O:44][CH:32]1[CH:31]([OH:42])[CH:29]([OH:40])[CH:27]([OH:38])[CH:23]([CH2:20][O:45][CH:33]2[CH:30]([OH:41])[CH:28]([OH:39])[CH:26]([OH:37])[CH:22]([CH2:17][OH:34])[O:47]2)[O:48]1)[O:46][C:25]([CH2:16]/[CH:13]=[CH:6]/[CH2:4][CH3:2])=[O:36] |
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