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

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abscisic alcohol

MNXM7013 is deprecated and here replaced by MNXM739535
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM739535
reference	chebi:22145
formula	C₁₅H₂₂O₃
global charge	0
mol weight	250.338
InChIKey	GRJFTUSJGMRSSJ-KICRZJJPSA-N
InChI	InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1
SMILES	CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\CO

MNX internals

InChI (mnx)	InChI=1/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1
SMILES (mnx)	[CH3:1][C:11](/[CH:5]=[CH:7]/[C@@:15]1([OH:18])[C:12]([CH3:2])=[CH:9][C:13](=[O:17])[CH2:10][C:14]1([CH3:3])[CH3:4])=[CH:6]/[CH2:8][OH:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:22145 chebi:22145 GRJFTUSJGMRSSJ-KICRZJJPSA-N	abscisic alcohol
kegg.compound:C13456 keggC:C13456 GRJFTUSJGMRSSJ-KICRZJJPSA-N	Abscisic alcohol
hmdb:HMDB0039635 GRJFTUSJGMRSSJ-KICRZJJPSA-N	Abscisic alcohol 4-hydroxy-4-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
seed.compound:cpd09442 seedM:cpd09442 GRJFTUSJGMRSSJ-KICRZJJPSA-N	Abscisic alcohol ABA alcohol abscisic acid alcohol abscisic alcohol cis-abscisic alcohol
metacyc.compound:CPD4FS-7 metacycM:CPD4FS-7 GRJFTUSJGMRSSJ-KICRZJJPSA-N	cis-abscisic alcohol ABA alcohol abscisic acid alcohol abscisic alcohol
hmdb:HMDB39635 chebi:31156 keggC:M_C13456 seedM:M_cpd09442	secondary/obsolete/fantasy identifier