input word = C00054891

Metabolite InformationStructural formula
Name Abscisic alcohol
Formula C15H22O3
Mw 250.15689457
CAS RN 113472-20-1
C_ID C00054891
InChIKey GRJFTUSJGMRSSJ-SQGBXOFWSA-N
InChICode 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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCydonia oblonga Ref.
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OrganismCydonia oblonga
ReferenceLutz, A. et al., J. Agric. Food Chem., 1992, 40, 116 (isol, pmr, cmr)