| Properties | Image |
|---|
| MNX_ID | MNXM1131289 |
 |
| reference | lipidmapsM:LMPR0105050005 |
| formula | C25H36O4 |
| global charge | 0 |
| mol weight | 400.559 |
| InChIKey | KNMOPFLBPXTWRO-QQPVYFFASA-N |
| InChI | InChI=1S/C25H36O4/c1-15(2)7-6-8-16(3)17-11-12-23(4)13-20-21-18(9-10-19(17)23)22(26)29-25(21,28)14-24(20,5)27/h6-9,16-17,19-21,27-28H,10-14H2,1-5H3/b8-6-,18-9?/t16-,17+,19-,20-,21-,23+,24+,25+/m0/s1 |
| SMILES | CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC[C@@H]12)C(=O)O[C@]4(O)C[C@@]3(C)O |
MNX internals
| InChI (mnx) | InChI=1/C25H36O4/c1-15(2)7-6-8-16(3)17-11-12-23(4)13-20-21-18(9-10-19(17)23)22(26)29-25(21,28)14-24(20,5)27/h6-9,16-17,19-21,27-28H,10-14H2,1-5H3/b8-6-,18-9?/t16-,17+,19-,20-,21-,23+,24+,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:15]([CH3:2])=[CH:7]/[CH:6]=[CH:8]\[C@H:16]([CH3:3])[C@H:17]1[CH2:11][CH2:12][C@:23]2([CH3:4])[CH2:13][C@H:20]3[C@@H:21]4[C:18](=[CH:9][CH2:10][C@@H:19]12)[C:22](=[O:26])[O:29][C@:25]4([OH:28])[CH2:14][C@@:24]3([CH3:5])[OH:27] |
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