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9'-hydroxyabscisic acid

PropertiesImage
MNX_IDMNXM39479 Image of MNXM39479
referencechebi:85162
formulaC15H20O5
global charge0
mol weight280.32
InChIKeyAVFORCKFTWHFAR-QOMXHDIWSA-N
InChIInChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15+/m0/s1
SMILESCC1=CC(=O)C[C@@](C)(CO)[C@@]1(O)/C=C/C(C)=C\C(=O)O
MNX internals
InChI (mnx)InChI=1/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15+/m0/s1 Image of MNXM39479
SMILES (mnx)[CH3:1][C:10](/[CH:4]=[CH:5]/[C@@:15]1([OH:20])[C:11]([CH3:2])=[CH:7][C:12](=[O:17])[CH2:8][C@@:14]1([CH3:3])[CH2:9][OH:16])=[CH:6]/[C:13](=[O:18])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85162
chebi:85162
AVFORCKFTWHFAR-QOMXHDIWSA-N 		9'-hydroxyabscisic acid
(2Z,4E)-5-[(1R,6S)-1-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
9'-HOABA

seed.compound:cpd24846
seedM:cpd24846
AVFORCKFTWHFAR-QOMXHDIWSA-M 		9'-HOABA
9'-hydroxyabscisate
9'-hydroxyavscesic acid

metacyc.compound:CPD-7728
metacycM:CPD-7728
AVFORCKFTWHFAR-QOMXHDIWSA-M 		9'-hydroxyabscisate
9'-HOABA
9'-hydroxyavscesic acid

seedM:M_cpd24846 		secondary/obsolete/fantasy identifier