| Properties | Image |
|---|
| MNX_ID | MNXM1130607 |
 |
| reference | lipidmapsM:LMFA07040131 |
| formula | C20H28O4 |
| global charge | 0 |
| mol weight | 332.44 |
| InChIKey | YFHYWHWBWQBXAP-OLMCNAGDSA-N |
| InChI | InChI=1S/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15+,16-,17-,18+,20-/m0/s1 |
| SMILES | CC[C@H](O)/C=C/C=C\C/C=C/[C@@H]1[C@@H]([C@@H]2CCCC(=O)O2)C[C@H]2O[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15+,16-,17-,18+,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C@@H:14](/[CH:9]=[CH:6]/[CH:4]=[CH:3]\[CH2:5]/[CH:7]=[CH:10]/[C@@H:15]1[C@@H:16]([C@@H:17]2[CH2:11][CH2:8][CH2:12][C:19](=[O:22])[O:23]2)[CH2:13][C@@H:18]2[C@H:20]1[O:24]2)[OH:21] |
|