| Properties | Image |
|---|
| MNX_ID | MNXM148960 |
 |
| reference | metacycM:CPD-15176 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | IPQKDIRUZHOIOM-IAAKTDFRSA-N |
| InChI | InChI=1S/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1 |
| SMILES | O=C1C=C(C2=CC=CC=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([C:11]2=[CH:6][C:10](=[O:23])[C:15]3=[C:12]([CH:7]=[C:13]([O:30][C@H:21]4[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@H:17]([OH:25])[C@@H:14]([CH2:8][OH:22])[O:31]4)[C:16]([OH:24])=[C:18]3[OH:26])[O:29]2)[CH:5]=[CH:3]1 |
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