| Properties | Image |
|---|
| MNX_ID | MNXM33902 |
 |
| reference | lipidmapsM:LMST03020262 |
| formula | C27H44O3 |
| global charge | 0 |
| mol weight | 416.646 |
| InChIKey | GMRQFYUYWCNGIN-WJBPREEXSA-N |
| InChI | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23+,24-,25-,27+/m0/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23+,24-,25-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]([CH2:8][CH2:6][CH2:14][C:26]([CH3:3])([CH3:4])[OH:30])[C@H:23]1[CH2:12][CH2:13][C@H:24]2/[C:20](=[CH:10]/[CH:11]=[C:21]3/[CH2:16][C@@H:22]([OH:28])[CH2:17][C@H:25]([OH:29])[C:19]3=[CH2:2])[CH2:9][CH2:7][CH2:15][C@:27]12[CH3:5] |
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