| Properties | Image |
| MNX_ID | MNXM1130499 |
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| reference | lipidmapsM:LMFA03060119 |
| formula | C20H32O4 |
| global charge | 0 |
| mol weight | 336.472 |
| InChIKey | CGXPEDOFBFGHJH-WWQFRFGJSA-N |
| InChI | InChI=1S/C20H32O4/c1-2-3-4-9-12-15-18(21)19(22)16-13-10-7-5-6-8-11-14-17-20(23)24/h6-8,10,12-13,15-16,18-19,21-22H,2-5,9,11,14,17H2,1H3,(H,23,24)/b8-6-,10-7-,15-12-,16-13+/t18-,19-/m1/s1 |
| SMILES | CCCCC/C=C\[C@@H](O)[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32O4/c1-2-3-4-9-12-15-18(21)19(22)16-13-10-7-5-6-8-11-14-17-20(23)24/h6-8,10,12-13,15-16,18-19,21-22H,2-5,9,11,14,17H2,1H3,(H,23,24)/b8-6-,10-7-,15-12-,16-13+/t18-,19-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:9]/[CH:12]=[CH:15]\[C@H:18]([C@@H:19](/[CH:16]=[CH:13]/[CH:10]=[CH:7]\[CH2:5]/[CH:6]=[CH:8]\[CH2:11][CH2:14][CH2:17][C:20](=[O:23])[OH:24])[OH:22])[OH:21] |
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