| Properties | Image |
|---|
| MNX_ID | MNXM23527 |
 |
| reference | lipidmapsM:LMST04010288 |
| formula | C24H40O4 |
| global charge | 0 |
| mol weight | 392.58 |
| InChIKey | CKCMSORCKFSHLL-CPTDALRPSA-N |
| InChI | InChI=1S/C24H40O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,22-,23+,24-/m1/s1 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C24H40O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,22-,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]([CH2:4][CH2:9][C:21](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:6][CH2:5][C@@H:15]4[CH2:12][C@H:16]([OH:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C@H:22]3[C@@H:20]([OH:26])[CH2:13][C@:24]12[CH3:3] |
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