| Properties | Image |
|---|
| MNX_ID | MNXM26346 |
 |
| reference | lipidmapsM:LMPK12010415 |
| formula | C23H25O12 |
| global charge | 1 |
| mol weight | 493.441 |
| InChIKey | IMXDUPARSULLGK-OXUVVOBNSA-O |
| InChI | InChI=1S/C23H24O12/c1-31-13-5-10(25)6-14-11(13)7-16(34-23-21(30)20(29)19(28)17(8-24)35-23)22(33-14)9-3-12(26)18(27)15(4-9)32-2/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1 |
| SMILES | COC1=CC(O)=CC2=[O+]C(C3=CC(OC)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C12 |
MNX internals
| InChI (mnx) | InChI=1/C23H24O12/c1-31-13-5-10(25)6-14-11(13)7-16(34-23-21(30)20(29)19(28)17(8-24)35-23)22(33-14)9-3-12(26)18(27)15(4-9)32-2/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/t17-,19-,20+,21-,23-/m1/s1 |
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| SMILES (mnx) | [CH3:1][O+:31]=[C:13]1[CH:5]=[C:10]([OH:25])[CH:6]=[C:14]2[C:11]1=[CH:7][C:16]([O:34][C@H:23]1[C@H:21]([OH:30])[C@@H:20]([OH:29])[C@H:19]([OH:28])[C@@H:17]([CH2:8][OH:24])[O:35]1)=[C:22]([C:9]1=[CH:3][C:12]([OH:26])=[C:18]([O-:27])[C:15]([O:32][CH3:2])=[CH:4]1)[O:33]2 |
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