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Deacetylisovaltrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM124233

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

formula

C₂₀H₂₈O₇

charge

mass

380.1835

reference

InChIKey

XIQPIDYOUNZVOS-UHFFFAOYSA-N

InChI

InChI=1S/C20H28O7/c1-11(2)5-16(22)24-8-13-9-25-19(27-17(23)6-12(3)4)18-14(13)7-15(21)20(18)10-26-20/h7,9,11-12,15,18-19,21H,5-6,8,10H2,1-4H3

SMILES

CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(O)C21CO1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175879 chebi:175879	Deacetylisovaltrate [6-hydroxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
hmdb:HMDB0035840	Deacetylisovaltrate 6-hydroxy-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-4-ylmethyl 3-methylbutanoate Deacetylisovaltratum Deacetylisovaltric acid Valepotriate a1 {6-hydroxy-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-4-yl}methyl 3-methylbutanoic acid
hmdb:HMDB35840	secondary/obsolete/fantasy identifier