| Properties | Image |
|---|
| MNX_ID | MNXM46688 |
 |
| reference | metacycM:CPD-15084 |
| formula | C21H20O9 |
| global charge | 0 |
| mol weight | 416.382 |
| InChIKey | PFJBHVURUOQVHW-VPRICQMDSA-N |
| InChI | InChI=1S/C21H20O9/c22-8-14-17(26)18(27)19(28)21(30-14)16-11(24)6-10(23)15-12(25)7-13(29-20(15)16)9-4-2-1-3-5-9/h1-7,14,17-19,21-24,26-28H,8H2/t14-,17-,18+,19-,21+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=CC=C2)OC2=C1C(O)=CC(O)=C2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O9/c22-8-14-17(26)18(27)19(28)21(30-14)16-11(24)6-10(23)15-12(25)7-13(29-20(15)16)9-4-2-1-3-5-9/h1-7,14,17-19,21-24,26-28H,8H2/t14-,17-,18+,19-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([C:13]2=[CH:7][C:12](=[O:25])[C:15]3=[C:20]([C:16]([C@H:21]4[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@H:17]([OH:26])[C@@H:14]([CH2:8][OH:22])[O:30]4)=[C:11]([OH:24])[CH:6]=[C:10]3[OH:23])[O:29]2)[CH:5]=[CH:3]1 |
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