| Properties | Image |
| MNX_ID | MNXM106335 |
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| reference | chebi:70030 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | GRBYFYORPBZEIN-RWKYHZLCSA-N |
| InChI | InChI=1S/C21H20O10/c1-8-18(26)19(27)20(28)21(29-8)30-10-5-13(24)17-14(25)7-15(31-16(17)6-10)9-2-3-11(22)12(23)4-9/h2-8,18-24,26-28H,1H3/t8-,18-,19+,20+,21-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=CC3=C(C(=O)C=C(C4=CC(O)=C(O)C=C4)O3)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O10/c1-8-18(26)19(27)20(28)21(29-8)30-10-5-13(24)17-14(25)7-15(31-16(17)6-10)9-2-3-11(22)12(23)4-9/h2-8,18-24,26-28H,1H3/t8-,18-,19+,20+,21-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:18]([OH:26])[C@@H:19]([OH:27])[C@@H:20]([OH:28])[C@H:21]([O:30][C:10]2=[CH:5][C:13]([OH:24])=[C:17]3[C:14](=[O:25])[CH:7]=[C:15]([C:9]4=[CH:4][C:12]([OH:23])=[C:11]([OH:22])[CH:3]=[CH:2]4)[O:31][C:16]3=[CH:6]2)[O:29]1 |
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