| Properties | Image |
|---|
| MNX_ID | MNXM1107449 |
 |
| reference | chebi:4793 |
| formula | C23H28O10 |
| global charge | 0 |
| mol weight | 464.467 |
| InChIKey | VCBNPTWPJQLHQN-RBYMISQXSA-N |
| InChI | InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8+/t11-,14-,15+,16+,17-,18+,22+,23-/m0/s1 |
| SMILES | C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@H](OC(C)=O)/C(C(=O)OC)=C\CC[C@@]1(C)O[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8+/t11-,14-,15+,16+,17-,18+,22+,23-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:10]1[C@H:14]2[C@@H:16]([O:31][C:21]([C@:23]3([CH3:5])[C@H:11]([CH3:2])[O:32]3)=[O:27])[C@H:15]([O:29][C:12]([CH3:3])=[O:24])/[C:13]([C:20](=[O:26])[O:28][CH3:6])=[CH:8]\[CH2:7][CH2:9][C@:22]3([CH3:4])[C@@H:18]([C@H:17]2[O:30][C:19]1=[O:25])[O:33]3 |
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