| Properties | Image |
|---|
| MNX_ID | MNXM113990 |
 |
| reference | chebi:68932 |
| formula | C20H26O11 |
| global charge | 0 |
| mol weight | 442.417 |
| InChIKey | QPBBQXZJTIVCTO-VWXLKGNHSA-N |
| InChI | InChI=1S/C20H26O11/c1-6-3-7(22)12(25)17(2)8(6)9(23)15-18-5-30-19(4-21,13(26)10(24)11(17)18)20(18,29)14(27)16(28)31-15/h3,8-15,21,23-27,29H,4-5H2,1-2H3/t8-,9-,10-,11-,12-,13+,14+,15-,17+,18+,19-,20+/m1/s1 |
| SMILES | CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@]3(O)[C@]14CO[C@]3(CO)[C@@H](O)[C@H](O)[C@H]24 |
MNX internals
| InChI (mnx) | InChI=1/C20H26O11/c1-6-3-7(22)12(25)17(2)8(6)9(23)15-18-5-30-19(4-21,13(26)10(24)11(17)18)20(18,29)14(27)16(28)31-15/h3,8-15,21,23-27,29H,4-5H2,1-2H3/t8-,9-,10-,11-,12-,13+,14+,15-,17+,18+,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:6]1=[CH:3][C:7](=[O:22])[C@@H:12]([OH:25])[C@@:17]2([CH3:2])[C@H:8]1[C@@H:9]([OH:23])[C@@H:15]1[C@:18]34[CH2:5][O:30][C@:19]([CH2:4][OH:21])([C@@H:13]([OH:26])[C@H:10]([OH:24])[C@H:11]23)[C@:20]4([OH:29])[C@@H:14]([OH:27])[C:16](=[O:28])[O:31]1 |
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