| Properties | Image |
|---|
| MNX_ID | MNXM47893 |
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| reference | lipidmapsM:LMPK12110904 |
| formula | C25H26O6 |
| global charge | 0 |
| mol weight | 422.477 |
| InChIKey | ISRPBJYOYHIQFU-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-7-15-9-17(19(27)10-18(15)26)22-12-21(29)24-23(31-22)11-20(28)16(25(24)30)8-6-14(3)4/h5-6,9-12,26-28,30H,7-8H2,1-4H3 |
| SMILES | CC(C)=CCC1=C(O)C=C(O)C(C2=CC(=O)C3=C(C=C(O)C(CC=C(C)C)=C3O)O2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H26O6/c1-13(2)5-7-15-9-17(19(27)10-18(15)26)22-12-21(29)24-23(31-22)11-20(28)16(25(24)30)8-6-14(3)4/h5-6,9-12,26-28,30H,7-8H2,1-4H3 |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:5][CH2:7][C:15]1=[CH:9][C:17]([C:22]2=[CH:12][C:21](=[O:29])[C:24]3=[C:23]([CH:11]=[C:20]([OH:28])[C:16]([CH2:8][CH:6]=[C:14]([CH3:3])[CH3:4])=[C:25]3[OH:30])[O:31]2)=[C:19]([OH:27])[CH:10]=[C:18]1[OH:26] |
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