| Properties | Image |
| MNX_ID | MNXM102053 |
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| reference | lipidmapsM:LMFA04000081 |
| formula | C22H31IO2 |
| global charge | 0 |
| mol weight | 454.392 |
| InChIKey | JVGLFGABRWZJME-JLNKQSITSA-N |
| InChI | InChI=1S/C22H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15- |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(I)C1CCC(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C22H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t20?,21? |
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| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH:20]([CH:21]1[CH2:18][CH2:19][C:22](=[O:24])[O:25]1)[I:23] |
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