| Properties | Image |
|---|
| MNX_ID | MNXM103880 |
 |
| reference | chebi:70471 |
| formula | C31H40O15 |
| global charge | 0 |
| mol weight | 652.646 |
| InChIKey | XBERMWCBCNLULE-ZAVTUZFISA-N |
| InChI | InChI=1S/C31H40O15/c1-15(2)43-29-27(37)26(36)25(35)20(45-29)13-41-23(33)11-31(5,39)12-24(34)46-21(30(3,4)38)14-42-28-16-6-7-22(32)44-19(16)10-18-17(28)8-9-40-18/h6-10,15,20-21,25-27,29,35-39H,11-14H2,1-5H3/t20-,21-,25-,26+,27-,29-,31?/m1/s1 |
| SMILES | CC(C)O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@H](COC2=C3C=CC(=O)OC3=CC3=C2C=CO3)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C31H40O15/c1-15(2)43-29-27(37)26(36)25(35)20(45-29)13-41-23(33)11-31(5,39)12-24(34)46-21(30(3,4)38)14-42-28-16-6-7-22(32)44-19(16)10-18-17(28)8-9-40-18/h6-10,15,20-21,25-27,29,35-39H,11-14H2,1-5H3/t20-,21-,25-,26+,27-,29-,31?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[O:43][C@H:29]1[C@H:27]([OH:37])[C@@H:26]([OH:36])[C@H:25]([OH:35])[C@@H:20]([CH2:13][O:41][C:23]([CH2:11][C:31]([CH3:5])([CH2:12][C:24](=[O:34])[O:46][C@H:21]([CH2:14][O:42][C:28]2=[C:17]3[CH:8]=[CH:9][O:40][C:18]3=[CH:10][C:19]3=[C:16]2[CH:6]=[CH:7][C:22](=[O:32])[O:44]3)[C:30]([CH3:3])([CH3:4])[OH:38])[OH:39])=[O:33])[O:45]1 |
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