| Properties | Image |
|---|
| MNX_ID | MNXM1131245 |
 |
| reference | lipidmapsM:LMPR01040143 |
| formula | C20H28O6 |
| global charge | 0 |
| mol weight | 364.438 |
| InChIKey | QYSAEOBDCOBHDU-GVMFGWQHSA-N |
| InChI | InChI=1S/C20H28O6/c1-11-7-16-17(26-16)20(4,24)6-5-13(15(11)10-21)14-8-12(25-18(14)22)9-19(2,3)23/h8-9,13,15-17,21,23-24H,1,5-7,10H2,2-4H3/b12-9+/t13-,15+,16-,17-,20+/m1/s1 |
| SMILES | C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H](C2=C/C(=C\C(C)(C)O)OC2=O)[C@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C20H28O6/c1-11-7-16-17(26-16)20(4,24)6-5-13(15(11)10-21)14-8-12(25-18(14)22)9-19(2,3)23/h8-9,13,15-17,21,23-24H,1,5-7,10H2,2-4H3/b12-9+/t13-,15+,16-,17-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:11]1[CH2:7][C@@H:16]2[C@H:17]([C@@:20]([CH3:4])([OH:24])[CH2:6][CH2:5][C@H:13]([C:14]3=[CH:8]/[C:12](=[CH:9]\[C:19]([CH3:2])([CH3:3])[OH:23])[O:25][C:18]3=[O:22])[C@H:15]1[CH2:10][OH:21])[O:26]2 |
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