| Properties | Image |
| MNX_ID | MNXM148677 |
 |
| reference | metacycM:CPD-17482 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | OIZZVOLGZMHZEV-AXJSTMCESA-N |
| InChI | InChI=1S/C21H20O10/c22-8-15-18(25)19(26)20(27)21(31-15)29-12-4-2-11(3-5-12)28-9-16-17(24)13-6-1-10(23)7-14(13)30-16/h1-7,9,15,18-23,25-27H,8H2/b16-9-/t15-,18-,19+,20-,21-/m1/s1 |
| SMILES | O=C1C2=CC=C(O)C=C2O/C1=C\OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O10/c22-8-15-18(25)19(26)20(27)21(31-15)29-12-4-2-11(3-5-12)28-9-16-17(24)13-6-1-10(23)7-14(13)30-16/h1-7,9,15,18-23,25-27H,8H2/b16-9-/t15-,18-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:6][C:13]2=[C:14]([CH:7]=[C:10]1[OH:23])[O:30]/[C:16](=[CH:9]\[O:28][C:11]1=[CH:3][CH:5]=[C:12]([O:29][C@H:21]3[C@H:20]([OH:27])[C@@H:19]([OH:26])[C@H:18]([OH:25])[C@@H:15]([CH2:8][OH:22])[O:31]3)[CH:4]=[CH:2]1)[C:17]2=[O:24] |
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