| Properties | Image |
|---|
| MNX_ID | MNXM26788 |
 |
| reference | lipidmapsM:LMPK12112066 |
| formula | C23H22O13 |
| global charge | 0 |
| mol weight | 506.416 |
| InChIKey | OCVFBAUXTBKWGG-JJQVTLSRSA-N |
| InChI | InChI=1S/C23H22O13/c1-8(25)33-21-17(30)15(7-24)35-23(19(21)32)36-22-18(31)16-13(29)5-10(26)6-14(16)34-20(22)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,21,23-24,26-30,32H,7H2,1H3/t15-,17+,19-,21+,23+/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC2=C(C3=CC(O)=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O)=C3)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H22O13/c1-8(25)33-21-17(30)15(7-24)35-23(19(21)32)36-22-18(31)16-13(29)5-10(26)6-14(16)34-20(22)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,21,23-24,26-30,32H,7H2,1H3/t15-,17+,19-,21+,23+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8](=[O:25])[O:33][C@H:21]1[C@@H:17]([OH:30])[C@@H:15]([CH2:7][OH:24])[O:35][C@@H:23]([O:36][C:22]2=[C:20]([C:9]3=[CH:4][C:12]([OH:28])=[C:11]([OH:27])[CH:3]=[CH:2]3)[O:34][C:14]3=[CH:6][C:10]([OH:26])=[CH:5][C:13]([OH:29])=[C:16]3[C:18]2=[O:31])[C@@H:19]1[OH:32] |
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