| Properties | Image |
|---|
| MNX_ID | MNXM1173022 |
 |
| reference | envipathM:...31033e9f6bc8 |
| formula | C21H35O9 |
| global charge | -1 |
| mol weight | 431.502 |
| InChIKey | JWFSDVCQUCVVTB-IVICDMQLSA-M |
| InChI | InChI=1S/C21H36O9/c1-8-14(22)21(7,30)18(26)11(3)15(23)10(2)9-20(6,29)17(25)12(4)16(24)13(5)19(27)28/h10-13,16,18,24,26,29-30H,8-9H2,1-7H3,(H,27,28)/p-1/t10-,11+,12+,13-,16+,18-,20-,21-/m1/s1 |
| SMILES | CCC(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H36O9/c1-8-14(22)21(7,30)18(26)11(3)15(23)10(2)9-20(6,29)17(25)12(4)16(24)13(5)19(27)28/h10-13,16,18,24,26,29-30H,8-9H2,1-7H3,(H,27,28)/t10-,11+,12+,13-,16+,18-,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C:14]([C@:21]([CH3:7])([C@@H:18]([C@@H:11]([CH3:3])[C:15]([C@H:10]([CH3:2])[CH2:9][C@:20]([CH3:6])([C:17]([C@@H:12]([CH3:4])[C@@H:16]([C@@H:13]([CH3:5])[C:19](=[O:27])[OH:28])[OH:24])=[O:25])[OH:29])=[O:23])[OH:26])[OH:30])=[O:22] |
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