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Daphnoretin methyl ether

PropertiesImage
MNX_IDMNXM124222 Image of MNXM124222
referencechebi:172597
formulaC20H14O7
global charge0
mol weight366.325
InChIKeyBCLNKNUUTUITEA-UHFFFAOYSA-N
InChIInChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3
SMILESCOC1=CC2=C(C=C1OC)OC(=O)C(OC1=CC3=C(C=CC(=O)O3)C=C1)=C2
MNX internals
InChI (mnx)InChI=1/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3 Image of MNXM124222
SMILES (mnx)[CH3:1][O:23][C:16]1=[C:17]([O:24][CH3:2])[CH:10]=[C:15]2[C:12](=[CH:7]1)[CH:8]=[C:18]([O:25][C:13]1=[CH:9][C:14]3=[C:11]([CH:3]=[CH:5]1)[CH:4]=[CH:6][C:19](=[O:21])[O:26]3)[C:20](=[O:22])[O:27]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172597
chebi:172597
BCLNKNUUTUITEA-UHFFFAOYSA-N 		Daphnoretin methyl ether
6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
hmdb:HMDB0039046
BCLNKNUUTUITEA-UHFFFAOYSA-N 		Daphnoretin methyl ether
6,7-dimethoxy-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-2-one
6,7-dimethoxy-3-[(2-oxochromen-7-yl)oxy]chromen-2-one
Isodaphnoretin (incorr.)

hmdb:HMDB39046 		secondary/obsolete/fantasy identifier