| Properties | Image |
|---|
| MNX_ID | MNXM10272 |
 |
| reference | metacycM:CPD-9536 |
| formula | C23H23O7 |
| global charge | -1 |
| mol weight | 411.43 |
| InChIKey | STQIAJVGXVCTSD-UKQHVQKXSA-M |
| InChI | InChI=1S/C23H24O7/c1-12(10-24)4-5-13-16(25)7-6-14-22(26)21-15-8-18(27-2)19(28-3)9-17(15)29-11-20(21)30-23(13)14/h4,6-9,20-21,24-25H,5,10-11H2,1-3H3/p-1/b12-4-/t20-,21+/m1/s1 |
| SMILES | COC1=CC2=C(C=C1OC)[C@@H]1C(=O)C3=CC=C([O-])C(C/C=C(/C)CO)=C3O[C@@H]1CO2 |
MNX internals
| InChI (mnx) | InChI=1/C23H24O7/c1-12(10-24)4-5-13-16(25)7-6-14-22(26)21-15-8-18(27-2)19(28-3)9-17(15)29-11-20(21)30-23(13)14/h4,6-9,20-21,24-25H,5,10-11H2,1-3H3/b12-4-/t20-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:12](=[CH:4]/[CH2:5][C:13]1=[C:16]([OH:25])[CH:7]=[CH:6][C:14]2=[C:23]1[O:30][C@@H:20]1[CH2:11][O:29][C:17]3=[CH:9][C:19]([O:28][CH3:3])=[C:18]([O:27][CH3:2])[CH:8]=[C:15]3[C@@H:21]1[C:22]2=[O:26])[CH2:10][OH:24] |
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