| Properties | Image |
|---|
| MNX_ID | MNXM19490 |
 |
| reference | chebi:149486 |
| formula | C23H26O12 |
| global charge | -2 |
| mol weight | 494.449 |
| InChIKey | BYFGTSAYQQIUCN-HGIHDBQLSA-L |
| InChI | InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/p-2/b9-4+/t15-,16-,17+,20-,23+/m0/s1 |
| SMILES | COC1=C(C)C2=C(C(=O)OC2)C(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)=C1C/C=C(\C)CCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1 |
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| SMILES (mnx) | [CH3:1]/[C:9](=[CH:4]\[CH2:6][C:11]1=[C:18]([O:32][CH3:3])[C:10]([CH3:2])=[C:12]2[CH2:8][O:33][C:22](=[O:31])[C:14]2=[C:19]1[O:34][C@H:23]1[C@H:17]([OH:28])[C@@H:15]([OH:26])[C@H:16]([OH:27])[C@@H:20]([C:21](=[O:29])[OH:30])[O:35]1)[CH2:5][CH2:7][C:13](=[O:24])[OH:25] |
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