| Properties | Image |
|---|
| MNX_ID | MNXM114521 |
 |
| reference | metacycM:CPD-14961 |
| formula | C22H21O11 |
| global charge | -1 |
| mol weight | 461.399 |
| InChIKey | MQVRGDZCYDEQML-LFXZADKFSA-M |
| InChI | InChI=1S/C22H22O11/c1-30-11-4-2-9(3-5-11)20-21(17(27)15-12(25)6-10(24)7-13(15)31-20)33-22-19(29)18(28)16(26)14(8-23)32-22/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/p-1/t14-,16-,18+,19-,22+/m1/s1 |
| SMILES | COC1=CC=C(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C([O-])C=C3O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O11/c1-30-11-4-2-9(3-5-11)20-21(17(27)15-12(25)6-10(24)7-13(15)31-20)33-22-19(29)18(28)16(26)14(8-23)32-22/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16-,18+,19-,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:30][C:11]1=[CH:5][CH:3]=[C:9]([C:20]2=[C:21]([O:33][C@H:22]3[C@H:19]([OH:29])[C@@H:18]([OH:28])[C@H:16]([OH:26])[C@@H:14]([CH2:8][OH:23])[O:32]3)[C:17](=[O:27])[C:15]3=[C:12]([OH:25])[CH:6]=[C:10]([OH:24])[CH:7]=[C:13]3[O:31]2)[CH:2]=[CH:4]1 |
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