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26-Methyl nigranoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM117089

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

formula

C₃₁H₄₈O₄

charge

mass

484.35526

reference

chebi:175774

InChIKey

IVXMRCQSVUIHRC-YVNNLAQVSA-N

InChI

InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(34)35-7)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)33/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,32,33)/b22-10-

SMILES

C=C(C)C1CCC2C3(C)CCC(C(C)CC/C=C(/C)C(=O)OC)C3(C)CCC23CC13CCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175774 chebi:175774	26-Methyl nigranoate 3-[5-[(Z)-7-methoxy-6-methyl-7-oxohept-5-en-2-yl]-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
hmdb:HMDB0033409	26-Methyl nigranoate 26-Methyl nigranoic acid 3-{5-[(5Z)-7-methoxy-6-methyl-7-oxohept-5-en-2-yl]-4,8-dimethyl-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl}propanoate 3-{5-[(5Z)-7-methoxy-6-methyl-7-oxohept-5-en-2-yl]-4,8-dimethyl-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl}propanoic acid
hmdb:HMDB33409	secondary/obsolete/fantasy identifier