| Properties | Image |
| MNX_ID | MNXM28732 |
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| reference | lipidmapsM:LMPK12112852 |
| formula | C21H20O7 |
| global charge | 0 |
| mol weight | 384.384 |
| InChIKey | LCSKDKPVRLILBJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H20O7/c1-11(2)8-9-27-13-6-4-12(5-7-13)20-19(25)17(23)16-15(28-20)10-14(22)21(26-3)18(16)24/h4-8,10,22,24-25H,9H2,1-3H3 |
| SMILES | COC1=C(O)C2=C(C=C1O)OC(C1=CC=C(OCC=C(C)C)C=C1)=C(O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O7/c1-11(2)8-9-27-13-6-4-12(5-7-13)20-19(25)17(23)16-15(28-20)10-14(22)21(26-3)18(16)24/h4-8,10,22,24-25H,9H2,1-3H3 |
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| SMILES (mnx) | [CH3:1][C:11]([CH3:2])=[CH:8][CH2:9][O:27][C:13]1=[CH:7][CH:5]=[C:12]([C:20]2=[C:19]([OH:25])[C:17](=[O:23])[C:16]3=[C:15]([CH:10]=[C:14]([OH:22])[C:21]([O:26][CH3:3])=[C:18]3[OH:24])[O:28]2)[CH:4]=[CH:6]1 |
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