| Properties | Image |
|---|
| MNX_ID | MNXM38561 |
 |
| reference | chebi:2169 |
| formula | C24H28O9 |
| global charge | 0 |
| mol weight | 460.479 |
| InChIKey | OATKJIMDMRXKBR-ATQQKGJMSA-N |
| InChI | InChI=1S/C24H28O9/c1-13-19(27)20(32-15(3)26)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-18,20H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,20+,22+,23-,24+/m1/s1 |
| SMILES | CC(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]1(C[C@@H](C3=COC=C3)OC1=O)[C@H](C)C(=O)[C@@H]2OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C24H28O9/c1-13-19(27)20(32-15(3)26)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-18,20H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,20+,22+,23-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:13]1[C:19](=[O:27])[C@H:20]([O:32][C:15]([CH3:3])=[O:26])[C@:24]2([CH2:12][O:30][C:14]([CH3:2])=[O:25])[C@H:18]([CH2:5][CH2:4][CH2:7][C@:22]23[CH2:11][O:31]3)[C@@:23]12[CH2:9][C@@H:17]([C:16]1=[CH:10][O:29][CH:8]=[CH:6]1)[O:33][C:21]2=[O:28] |
|