| Properties | Image |
|---|
| MNX_ID | MNXM23812 |
 |
| reference | lipidmapsM:LMPK12112756 |
| formula | C23H24O11 |
| global charge | 0 |
| mol weight | 476.434 |
| InChIKey | MLZXHJBYYFPYBF-UFGFRKJLSA-N |
| InChI | InChI=1S/C23H24O11/c1-8-16(27)18(29)19(30)22(33-8)15-12(26)7-11(25)14-17(28)23(32-3)20(34-21(14)15)9-4-5-13(31-2)10(24)6-9/h4-8,16,18-19,22,24-27,29-30H,1-3H3/t8-,16-,18+,19+,22-/m0/s1 |
| SMILES | COC1=C(O)C=C(C2=C(OC)C(=O)C3=C(O2)C([C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)=C(O)C=C3O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H24O11/c1-8-16(27)18(29)19(30)22(33-8)15-12(26)7-11(25)14-17(28)23(32-3)20(34-21(14)15)9-4-5-13(31-2)10(24)6-9/h4-8,16,18-19,22,24-27,29-30H,1-3H3/t8-,16-,18+,19+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:16]([OH:27])[C@@H:18]([OH:29])[C@@H:19]([OH:30])[C@H:22]([C:15]2=[C:12]([OH:26])[CH:7]=[C:11]([OH:25])[C:14]3=[C:21]2[O:34][C:20]([C:9]2=[CH:6][C:10]([OH:24])=[C:13]([O:31][CH3:2])[CH:5]=[CH:4]2)=[C:23]([O:32][CH3:3])[C:17]3=[O:28])[O:33]1 |
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