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(S)-Angelicain

Properties

Image

Occurences in reactions

MNX_ID

MNXM115433

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

formula

C₁₅H₁₆O₆

charge

mass

292.09469

reference

InChIKey

FHCHSXPHLRBEBR-UHFFFAOYSA-N

InChI

InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3

SMILES

CC(C)(O)C1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174776 chebi:174776	(S)-Angelicain 4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-5-one
hmdb:HMDB0030120	(S)-Angelicain 4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H,3H,5H-furo[3,2-g]chromen-5-one 4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H,3H-furo[3,2-g]chromen-5-one
hmdb:HMDB30120	secondary/obsolete/fantasy identifier