| Properties | Image |
|---|
| MNX_ID | MNXM1170002 |
 |
| reference | envipathM:...6857b23a2ff7 |
| formula | C17H27O6 |
| global charge | -1 |
| mol weight | 327.397 |
| InChIKey | KKUCOGBNXZSXNW-UHFFFAOYSA-M |
| InChI | InChI=1S/C17H28O6/c1-2-12(18)13(19)9-7-10-15-17(23-15)14(20)8-5-3-4-6-11-16(21)22/h7,9,12,14-15,17-18,20H,2-6,8,10-11H2,1H3,(H,21,22)/p-1 |
| SMILES | CCC(O)C(=O)C=CCC1OC1C(O)CCCCCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H28O6/c1-2-12(18)13(19)9-7-10-15-17(23-15)14(20)8-5-3-4-6-11-16(21)22/h7,9,12,14-15,17-18,20H,2-6,8,10-11H2,1H3,(H,21,22)/b9-7?/t12?,14?,15?,17? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH:12]([C:13]([CH:9]=[CH:7][CH2:10][CH:15]1[CH:17]([CH:14]([CH2:8][CH2:5][CH2:3][CH2:4][CH2:6][CH2:11][C:16](=[O:21])[OH:22])[OH:20])[O:23]1)=[O:19])[OH:18] |
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