| Properties | Image |
|---|
| MNX_ID | MNXM1175528 |
 |
| reference | envipathM:...ef282f5fcf5b |
| formula | C22H33O5 |
| global charge | -1 |
| mol weight | 377.501 |
| InChIKey | VLKXGFBUNFKQNI-FUCIYNABSA-M |
| InChI | InChI=1S/C22H34O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,23H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/p-1/b11-8+,13-12+/t16-,17+,18+,19+/m0/s1 |
| SMILES | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1C(=O)CC(=O)[C@@H]1CCCC/C=C/C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H34O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,23H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:9][C@H:16]([CH3:2])[CH2:14][C@@H:17](/[CH:12]=[CH:13]/[C@@H:19]1[C@@H:18]([CH2:10][CH2:7][CH2:5][CH2:6]/[CH:8]=[CH:11]/[C:22](=[O:26])[OH:27])[C:20](=[O:24])[CH2:15][C:21]1=[O:25])[OH:23] |
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