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3''-Chloro-3''-deoxytriphasiol

Properties

Image

Occurences in reactions

MNX_ID

MNXM117126

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

formula

C₁₉H₂₃ClO₅

charge

mass

366.1234

reference

InChIKey

ABSHGVKRCLSRQK-UHFFFAOYSA-N

InChI

InChI=1S/C19H23ClO5/c1-11(2)14(21)9-13-15(24-10-16(22)19(3,4)20)7-5-12-6-8-17(23)25-18(12)13/h5-8,11,16,22H,9-10H2,1-4H3

SMILES

CC(C)C(=O)Cc1c(OCC(O)C(C)(C)Cl)ccc2ccc(=O)oc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0041136	3''-Chloro-3''-deoxytriphasiol 7-(3-chloro-2-hydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one 7-(3-chloro-2-hydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one
hmdb:HMDB41136	secondary/obsolete/fantasy identifier