| Properties | Image |
|---|
| MNX_ID | MNXM39897 |
 |
| reference | lipidmapsM:LMPK12140390 |
| formula | C22H22O6 |
| global charge | 0 |
| mol weight | 382.412 |
| InChIKey | XCIIBMCUOWUPMJ-SFHVURJKSA-N |
| InChI | InChI=1S/C22H22O6/c1-11(2)3-4-14-15(7-12-5-6-27-22(12)21(14)26)18-10-17(25)20-16(24)8-13(23)9-19(20)28-18/h3,7-9,18,23-24,26H,4-6,10H2,1-2H3/t18-/m0/s1 |
| SMILES | CC(C)=CCC1=C([C@@H]2CC(=O)C3=C(C=C(O)C=C3O)O2)C=C2CCOC2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O6/c1-11(2)3-4-14-15(7-12-5-6-27-22(12)21(14)26)18-10-17(25)20-16(24)8-13(23)9-19(20)28-18/h3,7-9,18,23-24,26H,4-6,10H2,1-2H3/t18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]([CH3:2])=[CH:3][CH2:4][C:14]1=[C:21]([OH:26])[C:22]2=[C:12]([CH2:5][CH2:6][O:27]2)[CH:7]=[C:15]1[C@@H:18]1[CH2:10][C:17](=[O:25])[C:20]2=[C:16]([OH:24])[CH:8]=[C:13]([OH:23])[CH:9]=[C:19]2[O:28]1 |
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