| Properties | Image |
|---|
| MNX_ID | MNXM148666 |
 |
| reference | metacycM:CPD-16748 |
| formula | C28H32O13 |
| global charge | 0 |
| mol weight | 576.551 |
| InChIKey | HRDFMECHEGTUKJ-IPAHHHFASA-N |
| InChI | InChI=1S/C28H32O13/c1-34-14-5-4-11(6-15(14)35-2)18-12-7-16-25(39-10-38-16)26(36-3)20(12)24(13-9-37-27(33)19(13)18)41-28-23(32)22(31)21(30)17(8-29)40-28/h4-7,13,17-19,21-24,28-32H,8-10H2,1-3H3/t13?,17-,18-,19?,21-,22+,23-,24+,28+/m1/s1 |
| SMILES | COC1=C(OC)C=C([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)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O13/c1-34-14-5-4-11(6-15(14)35-2)18-12-7-16-25(39-10-38-16)26(36-3)20(12)24(13-9-37-27(33)19(13)18)41-28-23(32)22(31)21(30)17(8-29)40-28/h4-7,13,17-19,21-24,28-32H,8-10H2,1-3H3/t13?,17-,18-,19?,21-,22+,23-,24+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:34][C:14]1=[C:15]([O:35][CH3:2])[CH:6]=[C:11]([C@@H:18]2[C:12]3=[CH:7][C:16]4=[C:25]([C:26]([O:36][CH3:3])=[C:20]3[C@@H:24]([O:41][C@H:28]3[C@H:23]([OH:32])[C@@H:22]([OH:31])[C@H:21]([OH:30])[C@@H:17]([CH2:8][OH:29])[O:40]3)[CH:13]3[CH2:9][O:37][C:27](=[O:33])[CH:19]32)[O:39][CH2:10][O:38]4)[CH:4]=[CH:5]1 |
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