MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Cardanol

	Properties	Image
MNX_ID	MNXM101799
reference	chebi:186661
formula	C₂₁H₃₀O
global charge	0
mol weight	298.47
InChIKey	JOLVYUIAMRUBRK-UTOQUPLUSA-N
InChI	InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
SMILES	C=CC/C=C\C/C=C\CCCCCCCC1=CC(O)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
SMILES (mnx)	[CH2:1]=[CH:2][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:16][C:20]1=[CH:19][C:21]([OH:22])=[CH:18][CH:15]=[CH:17]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:186661 chebi:186661 JOLVYUIAMRUBRK-UTOQUPLUSA-N	Cardanol 3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
metacyc.compound:CPD-14641 metacycM:CPD-14641 seed.compound:cpd35540 seedM:cpd35540 JOLVYUIAMRUBRK-UTOQUPLUSA-N	3-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]phenol
lipidmaps:LMPK15010002 lipidmapsM:LMPK15010002 JOLVYUIAMRUBRK-UTOQUPLUSA-N	Cardanol 3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol
seedM:M_cpd35540	secondary/obsolete/fantasy identifier