| Properties | Image |
| MNX_ID | MNXM10430 |
 |
| reference | metacycM:CPD-8144 |
| formula | C21H20O8 |
| global charge | 0 |
| mol weight | 400.383 |
| InChIKey | RZLRADQNIZRGRA-YMQHIKHWSA-N |
| InChI | InChI=1S/C21H20O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-9,17-22,24-26H,10H2/t17-,18-,19+,20-,21-/m1/s1 |
| SMILES | O=C1C=C(C2=CC=CC=C2)OC2=C1C=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-9,17-22,24-26H,10H2/t17-,18-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]([C:15]2=[CH:9][C:14](=[O:23])[C:13]3=[C:16]([CH:8]=[C:12]([O:27][C@H:21]4[C@H:20]([OH:26])[C@@H:19]([OH:25])[C@H:18]([OH:24])[C@@H:17]([CH2:10][OH:22])[O:29]4)[CH:6]=[CH:7]3)[O:28]2)[CH:5]=[CH:3]1 |
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