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Canavalioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM120146

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

formula

C₂₆H₄₂O₁₂

charge

mass

546.26763

reference

chebi:168386

InChIKey

HVFLAHBPOQXZBM-UHFFFAOYSA-N

InChI

InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34)

SMILES

CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(O)(CCC21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168386 chebi:168386	Canavalioside 2,3,13,14-tetrahydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
hmdb:HMDB0036317	Canavalioside 2,3,13,14-Tetrahydroxy-5,9-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate 2,3,13,14-tetrahydroxy-5,9-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
hmdb:HMDB36317	secondary/obsolete/fantasy identifier