| Properties | Image |
|---|
| MNX_ID | MNXM108683 |
 |
| reference | chebi:66161 |
| formula | C20H26O8 |
| global charge | 0 |
| mol weight | 394.42 |
| InChIKey | MGGPOESVKAWHRB-XGUBJMKCSA-N |
| InChI | InChI=1S/C20H26O8/c1-8-4-10(21)15(24)17(2)9(8)5-11-19-7-27-18(3,16(25)13(23)14(17)19)20(19,26)6-12(22)28-11/h4,9,11,13-16,23-26H,5-7H2,1-3H3/t9-,11+,13?,14+,15+,16?,17-,18?,19+,20+/m0/s1 |
| SMILES | CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)C[C@]54O |
MNX internals
| InChI (mnx) | InChI=1/C20H26O8/c1-8-4-10(21)15(24)17(2)9(8)5-11-19-7-27-18(3,16(25)13(23)14(17)19)20(19,26)6-12(22)28-11/h4,9,11,13-16,23-26H,5-7H2,1-3H3/t9-,11+,13?,14+,15+,16?,17-,18?,19+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:4][C:10](=[O:21])[C@@H:15]([OH:24])[C@@:17]2([CH3:2])[C@H:9]1[CH2:5][C@@H:11]1[C@:19]34[CH2:7][O:27][C:18]([CH3:3])([CH:16]([OH:25])[CH:13]([OH:23])[C@H:14]23)[C@:20]4([OH:26])[CH2:6][C:12](=[O:22])[O:28]1 |
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