| Properties | Image |
|---|
| MNX_ID | MNXM1188099 |
 |
| reference | envipathM:...77f903a4ed63 |
| formula | C17H27O6 |
| global charge | -1 |
| mol weight | 327.397 |
| InChIKey | QMUMCXGGXACCRR-UHFFFAOYSA-M |
| InChI | InChI=1S/C17H28O6/c1-2-3-4-5-6-11-14-16(23-14)13(19)10-8-7-9-12(18)15(20)17(21)22/h5-6,12-14,16,18-19H,2-4,7-11H2,1H3,(H,21,22)/p-1 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCC(O)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H28O6/c1-2-3-4-5-6-11-14-16(23-14)13(19)10-8-7-9-12(18)15(20)17(21)22/h5-6,12-14,16,18-19H,2-4,7-11H2,1H3,(H,21,22)/b6-5?/t12?,13?,14?,16? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:11][CH:14]1[CH:16]([CH:13]([CH2:10][CH2:8][CH2:7][CH2:9][CH:12]([C:15]([C:17]([OH:21])=[O:22])=[O:20])[OH:18])[OH:19])[O:23]1 |
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