| Properties | Image |
|---|
| MNX_ID | MNXM102150 |
 |
| reference | lipidmapsM:LMFA03120059 |
| formula | C23H33IO6 |
| global charge | 0 |
| mol weight | 532.415 |
| InChIKey | PHLDSBOKGDMUEL-NRPCDHBGSA-N |
| InChI | InChI=1S/C23H33IO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10+/t19-,21-,23+/m0/s1 |
| SMILES | CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)[C@@H]1[C@H](/C=C/CCCC(=O)OC)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C23H33IO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10+/t19-,21-,23+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:12]\[CH2:15][C@@:23]1([OH:28])[CH:16]=[C:18]([I:24])[C:22](=[O:27])[C@@H:21]1[C@H:19](/[CH:13]=[CH:10]/[CH2:9][CH2:11][CH2:14][C:20](=[O:26])[O:29][CH3:3])[O:30][C:17]([CH3:2])=[O:25] |
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