| Properties | Image |
|---|
| MNX_ID | MNXM148441 |
 |
| reference | metacycM:CPD-16746 |
| formula | C28H32O13 |
| global charge | 0 |
| mol weight | 576.551 |
| InChIKey | NXVJTGLCCSFGAT-KHBXQNFESA-N |
| InChI | InChI=1S/C28H32O13/c1-34-17-4-11(5-18(35-2)26(17)36-3)20-12-6-15-16(39-10-38-15)7-13(12)25(14-9-37-27(33)21(14)20)41-28-24(32)23(31)22(30)19(8-29)40-28/h4-7,14,19-25,28-32H,8-10H2,1-3H3/t14?,19-,20-,21?,22-,23+,24-,25-,28+/m1/s1 |
| SMILES | COC1=CC([C@@H]2C3=CC4=C(C=C3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C3COC(=O)C32)OCO4)=CC(OC)=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C28H32O13/c1-34-17-4-11(5-18(35-2)26(17)36-3)20-12-6-15-16(39-10-38-15)7-13(12)25(14-9-37-27(33)21(14)20)41-28-24(32)23(31)22(30)19(8-29)40-28/h4-7,14,19-25,28-32H,8-10H2,1-3H3/t14?,19-,20-,21?,22-,23+,24-,25-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:34][C:17]1=[C:26]([O:36][CH3:3])[C:18]([O:35][CH3:2])=[CH:5][C:11]([C@@H:20]2[C:12]3=[CH:6][C:15]4=[C:16]([CH:7]=[C:13]3[C@@H:25]([O:41][C@H:28]3[C@H:24]([OH:32])[C@@H:23]([OH:31])[C@H:22]([OH:30])[C@@H:19]([CH2:8][OH:29])[O:40]3)[CH:14]3[CH2:9][O:37][C:27](=[O:33])[CH:21]32)[O:39][CH2:10][O:38]4)=[CH:4]1 |
|