| Properties | Image |
|---|
| MNX_ID | MNXM147866 |
 |
| reference | metacycM:CPD-16747 |
| formula | C29H34O14 |
| global charge | 0 |
| mol weight | 606.577 |
| InChIKey | ZBHUQQHYXHVILV-BLEHMCQWSA-N |
| InChI | InChI=1S/C29H34O14/c1-35-14-5-11(6-15(36-2)25(14)37-3)18-12-7-16-26(41-10-40-16)27(38-4)20(12)24(13-9-39-28(34)19(13)18)43-29-23(33)22(32)21(31)17(8-30)42-29/h5-7,13,17-19,21-24,29-33H,8-10H2,1-4H3/t13?,17-,18-,19?,21-,22+,23-,24+,29+/m1/s1 |
| SMILES | COC1=CC([C@@H]2C3=CC4=C(OCO4)C(OC)=C3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C3COC(=O)C32)=CC(OC)=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C29H34O14/c1-35-14-5-11(6-15(36-2)25(14)37-3)18-12-7-16-26(41-10-40-16)27(38-4)20(12)24(13-9-39-28(34)19(13)18)43-29-23(33)22(32)21(31)17(8-30)42-29/h5-7,13,17-19,21-24,29-33H,8-10H2,1-4H3/t13?,17-,18-,19?,21-,22+,23-,24+,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:35][C:14]1=[C:25]([O:37][CH3:3])[C:15]([O:36][CH3:2])=[CH:6][C:11]([C@@H:18]2[C:12]3=[CH:7][C:16]4=[C:26]([C:27]([O:38][CH3:4])=[C:20]3[C@@H:24]([O:43][C@H:29]3[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:21]([OH:31])[C@@H:17]([CH2:8][OH:30])[O:42]3)[CH:13]3[CH2:9][O:39][C:28](=[O:34])[CH:19]32)[O:41][CH2:10][O:40]4)=[CH:5]1 |
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