| Properties | Image |
MNX_ID | MNXM28474 |
 |
reference | lipidmapsM:LMPK12050241 |
formula | C20H18O6 |
global charge | 0 |
mol weight | 354.358 |
InChIKey | URGGLJWRKAXLOT-UHFFFAOYSA-N |
InChI | InChI=1S/C20H18O6/c1-10(2)3-5-12-15(22)8-17-18(19(12)24)20(25)13(9-26-17)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3 |
SMILES | CC(C)=CCC1=C(O)C=C2OC=C(C3=CC(O)=C(O)C=C3)C(=O)C2=C1O |
MNX internals
InChI (mnx) | InChI=1/C20H18O6/c1-10(2)3-5-12-15(22)8-17-18(19(12)24)20(25)13(9-26-17)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3 |
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SMILES (mnx) | [CH3:1][C:10]([CH3:2])=[CH:3][CH2:5][C:12]1=[C:19]([OH:24])[C:18]2=[C:17]([CH:8]=[C:15]1[OH:22])[O:26][CH:9]=[C:13]([C:11]1=[CH:7][C:16]([OH:23])=[C:14]([OH:21])[CH:6]=[CH:4]1)[C:20]2=[O:25] |
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