| Properties | Image |
|---|
| MNX_ID | MNXM1130656 |
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| reference | lipidmapsM:LMFA07090099 |
| formula | C36H62O4 |
| global charge | 0 |
| mol weight | 558.888 |
| InChIKey | FJRBSDWPOVOQKY-XIGUORJPSA-N |
| InChI | InChI=1S/C36H62O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h11-12,14-15,19,22,26,30,34H,3-10,13,16-18,20-21,23-25,27-29,31-33H2,1-2H3,(H,37,38)/b12-11-,15-14-,22-19-,30-26+ |
| SMILES | CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C36H62O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h11-12,14-15,19,22,26,30,34H,3-10,13,16-18,20-21,23-25,27-29,31-33H2,1-2H3,(H,37,38)/b12-11-,15-14-,22-19-,30-26+/t34? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:20][CH2:25][CH2:29][CH2:33][C:36](=[O:39])[O:40][CH:34](/[CH:30]=[CH:26]/[CH:22]=[CH:19]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[CH2:31][CH2:27][CH2:23][CH2:21][CH2:24][CH2:28][CH2:32][C:35](=[O:37])[OH:38] |
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