| Properties | Image |
|---|
| MNX_ID | MNXM60505 |
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| reference | lipidmapsM:LMPK12050323 |
| formula | C25H26O7 |
| global charge | 0 |
| mol weight | 438.476 |
| InChIKey | KOEOXESSOFRMKA-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H26O7/c1-12(2)5-6-14-17(26)10-19-21(23(14)29)24(30)16(11-31-19)13-7-8-18-15(22(13)28)9-20(27)25(3,4)32-18/h5,7-8,10-11,20,26-29H,6,9H2,1-4H3 |
| SMILES | CC(C)=CCC1=C(O)C=C2OC=C(C3=C(O)C4=C(C=C3)OC(C)(C)C(O)C4)C(=O)C2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C25H26O7/c1-12(2)5-6-14-17(26)10-19-21(23(14)29)24(30)16(11-31-19)13-7-8-18-15(22(13)28)9-20(27)25(3,4)32-18/h5,7-8,10-11,20,26-29H,6,9H2,1-4H3/t20? |
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| SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:5][CH2:6][C:14]1=[C:23]([OH:29])[C:21]2=[C:19]([CH:10]=[C:17]1[OH:26])[O:31][CH:11]=[C:16]([C:13]1=[C:22]([OH:28])[C:15]3=[C:18]([CH:8]=[CH:7]1)[O:32][C:25]([CH3:3])([CH3:4])[CH:20]([OH:27])[CH2:9]3)[C:24]2=[O:30] |
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