| Properties | Image |
|---|
| MNX_ID | MNXM25412 |
 |
| reference | lipidmapsM:LMST04010181 |
| formula | C24H38O5 |
| global charge | 0 |
| mol weight | 406.563 |
| InChIKey | MIHNUBCEFJLAGN-LQBOHOEBSA-N |
| InChI | InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19+,22+,23+,24-/m1/s1 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19+,22+,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:13]([CH2:4][CH2:7][C:21](=[O:28])[OH:29])[C@H:16]1[CH2:5][CH2:6][C@H:17]2[C@H:22]3[C@H:18]([CH2:12][C:20](=[O:27])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:9][CH2:8][C@@H:15]([OH:25])[CH2:10][C@@H:14]1[CH2:11][C@@H:19]3[OH:26] |
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