| Properties | Image |
|---|
| MNX_ID | MNXM103239 |
 |
| reference | chebi:67792 |
| formula | C20H32O7 |
| global charge | 0 |
| mol weight | 384.469 |
| InChIKey | DOZVKVJPJOEXOY-QSUDUBMPSA-N |
| InChI | InChI=1S/C20H32O7/c1-10(2)13-9-14(27-17(23)18(5,24)12(4)21)19(6,25)20(26)8-7-11(3)15(20)16(13)22/h10,12-14,21,24-26H,7-9H2,1-6H3/t12?,13-,14-,18?,19+,20-/m0/s1 |
| SMILES | CC1=C2C(=O)[C@H](C(C)C)C[C@H](OC(=O)C(C)(O)C(C)O)[C@@](C)(O)[C@]2(O)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H32O7/c1-10(2)13-9-14(27-17(23)18(5,24)12(4)21)19(6,25)20(26)8-7-11(3)15(20)16(13)22/h10,12-14,21,24-26H,7-9H2,1-6H3/t12?,13-,14-,18?,19+,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:13]1[CH2:9][C@H:14]([O:27][C:17]([C:18]([CH3:5])([CH:12]([CH3:4])[OH:21])[OH:24])=[O:23])[C@@:19]([CH3:6])([OH:25])[C@:20]2([OH:26])[CH2:8][CH2:7][C:11]([CH3:3])=[C:15]2[C:16]1=[O:22] |
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