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Bergamottin

Properties

Image

Occurences in reactions

MNX_ID

MNXM103047

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₁H₂₂O₄

charge

mass

338.15181

reference

InChIKey

DBMJZOMNXBSRED-DHDCSXOGSA-N

InChI

InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9-

SMILES

CC(C)=CCC/C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0033782	Bergamottin 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9ci 4-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one 4-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}furo[3,2-g]chromen-7-one 5-Geranoxypsoralen 5-Geranyloxypsoralen Bergamotin Bergamotine Bergaptin Bergaptol geranyl ether
hmdb:HMDB33782	secondary/obsolete/fantasy identifier