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Castaneiolide

Properties

Image

Occurences in reactions

MNX_ID

MNXM120329

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

formula

C₂₂H₂₈O₈

charge

mass

420.17842

reference

InChIKey

RKHYCZRKSYBVGA-UHFFFAOYSA-N

InChI

InChI=1S/C22H28O8/c1-3-5-7-8-12-10-13-16(21(27)29-18(13)24)17(23)22(28,9-6-4-2)11-14-15(12)20(26)30-19(14)25/h12,17,23,28H,3-11H2,1-2H3

SMILES

CCCCCC1CC2=C(C(=O)OC2=O)C(O)C(O)(CCCC)CC2=C1C(=O)OC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175360 chebi:175360	Castaneiolide 10-butyl-9,10-dihydroxy-2-pentyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
hmdb:HMDB0034876	Castaneiolide (Methylthio)methyl butyrate 10-butyl-9,10-dihydroxy-2-pentyl-6,14-dioxatricyclo[10.3.0.0⁴,⁸]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone FEMA 3879 Methyl 2-methylthiobutyrate Methylthiomethyl butyric acid
hmdb:HMDB34876	secondary/obsolete/fantasy identifier