| Properties | Image |
|---|
| MNX_ID | MNXM53962 |
 |
| reference | lipidmapsM:LMPK12050106 |
| formula | C23H22O11 |
| global charge | 0 |
| mol weight | 474.418 |
| InChIKey | CJHLOIVYCZZNBR-DODNOZFWSA-N |
| InChI | InChI=1S/C23H22O11/c1-29-15-5-11-14(6-17(15)33-23-22(28)21(27)20(26)18(7-24)34-23)30-8-12(19(11)25)10-2-3-13-16(4-10)32-9-31-13/h2-6,8,18,20-24,26-28H,7,9H2,1H3/t18-,20-,21+,22-,23-/m1/s1 |
| SMILES | COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC=C(C3=CC4=C(C=C3)OCO4)C(=O)C2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H22O11/c1-29-15-5-11-14(6-17(15)33-23-22(28)21(27)20(26)18(7-24)34-23)30-8-12(19(11)25)10-2-3-13-16(4-10)32-9-31-13/h2-6,8,18,20-24,26-28H,7,9H2,1H3/t18-,20-,21+,22-,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:29][C:15]1=[C:17]([O:33][C@H:23]2[C@H:22]([OH:28])[C@@H:21]([OH:27])[C@H:20]([OH:26])[C@@H:18]([CH2:7][OH:24])[O:34]2)[CH:6]=[C:14]2[C:11](=[CH:5]1)[C:19](=[O:25])[C:12]([C:10]1=[CH:4][C:16]3=[C:13]([CH:3]=[CH:2]1)[O:31][CH2:9][O:32]3)=[CH:8][O:30]2 |
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