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Cofaryloside

Properties

Image

Occurences in reactions

MNX_ID

MNXM123899

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

formula

C₂₆H₄₂O₁₀

charge

mass

514.2778

reference

hmdb:HMDB0035096

InChIKey

VEZJUFUSLIUNOY-UHFFFAOYSA-N

InChI

InChI=1S/C26H42O10/c1-22(21(32)36-20-19(31)18(30)17(29)15(11-27)35-20)6-3-7-23(2)16(22)5-8-24-10-14(4-9-26(23,24)34)25(33,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3

SMILES

CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0035096	Cofaryloside 3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate Lithocholic acid, methyl ester Methyl 3alpha-hydroxy-5beta-cholan-24-Oate Methyl lithocholate
hmdb:HMDB35096	secondary/obsolete/fantasy identifier