| Properties | Image |
|---|
| MNX_ID | MNXM1364022 |
 |
| reference | biggM:CE4980 |
| formula | C23H38O7 |
| global charge | 0 |
| mol weight | 426.55 |
| InChIKey | HJWDPZIOTMUWRW-PMHWMNKFSA-N |
| InChI | InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12-/t17-,19-,20-,22-/m0/s1 |
| SMILES | CCCCC[C@H](O)/C=C\[C@H]1[C@H](C/C=C\CCCC(=O)OC(CO)CO)C(=O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12-/t17-,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][CH:18]([CH2:15][OH:24])[CH2:16][OH:25])[C:21](=[O:27])[CH2:14][C@@H:22]1[OH:28])[OH:26] |
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