| Properties | Image |
|---|
| MNX_ID | MNXM1363964 |
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| reference | biggM:CE5726 |
| formula | C23H38O7 |
| global charge | 0 |
| mol weight | 426.55 |
| InChIKey | RJXVYMMSQBYEHN-IPNOXZIHSA-N |
| InChI | InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12-/t17-,18+,19+,20+,22-/m0/s1 |
| SMILES | CCCCC[C@H](O)/C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC[C@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12-/t17-,18+,19+,20+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:12]=[CH:13]\[C@@H:20]1[C@@H:19]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:23](=[O:29])[O:30][CH2:16][C@@H:18]([CH2:15][OH:24])[OH:26])[C:21](=[O:27])[CH2:14][C@@H:22]1[OH:28])[OH:25] |
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