| Properties | Image |
|---|
| MNX_ID | MNXM149064 |
 |
| reference | metacycM:CPD-17481 |
| formula | C21H20O9 |
| global charge | 0 |
| mol weight | 416.382 |
| InChIKey | TZOWYMKOGOEJDC-MTUHIDJDSA-N |
| InChI | InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-12-4-1-10(2-5-12)7-15-17(24)13-6-3-11(23)8-14(13)29-15/h1-8,16,18-23,25-27H,9H2/b15-7-/t16-,18-,19+,20-,21-/m1/s1 |
| SMILES | O=C1C2=C(C=C(O)C=C2)O/C1=C\C1=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/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-12-4-1-10(2-5-12)7-15-17(24)13-6-3-11(23)8-14(13)29-15/h1-8,16,18-23,25-27H,9H2/b15-7-/t16-,18-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:12]([O:28][C@H:21]2[C@H:20]([OH:27])[C@@H:19]([OH:26])[C@H:18]([OH:25])[C@@H:16]([CH2:9][OH:22])[O:30]2)=[CH:5][CH:2]=[C:10]1/[CH:7]=[C:15]1/[C:17](=[O:24])[C:13]2=[C:14]([CH:8]=[C:11]([OH:23])[CH:3]=[CH:6]2)[O:29]1 |
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