| Properties | Image |
|---|
| MNX_ID | MNXM32823 |
 |
| reference | lipidmapsM:LMST03020656 |
| formula | C31H48O4 |
| global charge | 0 |
| mol weight | 484.721 |
| InChIKey | JRQYVHHHASBIEU-NQTFQPGQSA-N |
| InChI | InChI=1S/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h13-14,20-21,27-30H,4,8-12,15-19H2,1-3,5-7H3/b25-13+,26-14-/t21-,27-,28-,29+,30+,31-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](OC(C)=O)C[C@@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h13-14,20-21,27-30H,4,8-12,15-19H2,1-3,5-7H3/b25-13+,26-14-/t21-,27-,28-,29+,30+,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:10][CH2:8][CH2:11][C@@H:21]([CH3:3])[C@H:28]1[CH2:15][CH2:16][C@H:29]2/[C:25](=[CH:13]/[CH:14]=[C:26]3/[CH2:18][C@@H:27]([O:34][C:23]([CH3:5])=[O:32])[CH2:19][C@H:30]([O:35][C:24]([CH3:6])=[O:33])[C:22]3=[CH2:4])[CH2:12][CH2:9][CH2:17][C@:31]12[CH3:7] |
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