| Properties | Image |
|---|
| MNX_ID | MNXM46733 |
 |
| reference | metacycM:CPD-4566 |
| formula | C23H24O12 |
| global charge | 0 |
| mol weight | 492.433 |
| InChIKey | JVEKRLQYVQBLDX-LDPMODHMSA-N |
| InChI | InChI=1S/C23H24O12/c1-30-13-5-15-14(32-8-33-15)4-10(13)11-7-31-16-3-9(2-12(25)18(16)19(11)26)34-23-22(29)21(28)20(27)17(6-24)35-23/h2-5,11,17,20-25,27-29H,6-8H2,1H3/t11-,17+,20+,21-,22+,23+/m0/s1 |
| SMILES | COC1=CC2=C(C=C1[C@@H]1COC3=C(C1=O)C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C3)OCO2 |
MNX internals
| InChI (mnx) | InChI=1/C23H24O12/c1-30-13-5-15-14(32-8-33-15)4-10(13)11-7-31-16-3-9(2-12(25)18(16)19(11)26)34-23-22(29)21(28)20(27)17(6-24)35-23/h2-5,11,17,20-25,27-29H,6-8H2,1H3/t11-,17+,20+,21-,22+,23+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:30][C:13]1=[CH:5][C:15]2=[C:14]([CH:4]=[C:10]1[C@@H:11]1[CH2:7][O:31][C:16]3=[CH:3][C:9]([O:34][C@H:23]4[C@H:22]([OH:29])[C@@H:21]([OH:28])[C@H:20]([OH:27])[C@@H:17]([CH2:6][OH:24])[O:35]4)=[CH:2][C:12]([OH:25])=[C:18]3[C:19]1=[O:26])[O:32][CH2:8][O:33]2 |
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