| Properties | Image |
|---|
| MNX_ID | MNXM108578 |
 |
| reference | chebi:70145 |
| formula | C30H28O13 |
| global charge | 0 |
| mol weight | 596.541 |
| InChIKey | DKNCSDJNWFKXEC-GEQWPRKQSA-N |
| InChI | InChI=1S/C30H28O13/c31-18-1-3-21(4-2-18)41-28-27(43-24(35)10-16-30(39)13-7-20(33)8-14-30)26(37)25(36)22(42-28)17-40-23(34)9-15-29(38)11-5-19(32)6-12-29/h1-16,22,25-28,31,36-39H,17H2/b15-9+,16-10+/t22-,25-,26+,27-,28-/m1/s1 |
| SMILES | O=C1C=CC(O)(/C=C/C(=O)OC[C@H]2O[C@@H](OC3=CC=C(O)C=C3)[C@H](OC(=O)/C=C/C3(O)C=CC(=O)C=C3)[C@@H](O)[C@@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H28O13/c31-18-1-3-21(4-2-18)41-28-27(43-24(35)10-16-30(39)13-7-20(33)8-14-30)26(37)25(36)22(42-28)17-40-23(34)9-15-29(38)11-5-19(32)6-12-29/h1-16,22,25-28,31,36-39H,17H2/b15-9+,16-10+/t22-,25-,26+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:21]([O:41][C@H:28]2[C@H:27]([O:43][C:24](/[CH:10]=[CH:16]/[C:30]3([OH:39])[CH:13]=[CH:7][C:20](=[O:33])[CH:8]=[CH:14]3)=[O:35])[C@@H:26]([OH:37])[C@H:25]([OH:36])[C@@H:22]([CH2:17][O:40][C:23](/[CH:9]=[CH:15]/[C:29]3([OH:38])[CH:11]=[CH:5][C:19](=[O:32])[CH:6]=[CH:12]3)=[O:34])[O:42]2)=[CH:4][CH:2]=[C:18]1[OH:31] |
|