input word = C00020418

Metabolite InformationStructural formula
Name Methyl hypocretenoate
Formula C16H20O4
Mw 276.13615913
CAS RN 84813-80-9
C_ID C00020418 ,
InChIKey LYUNLVGDPZGFCA-ZEFNCDPZNA-N
InChICode InChI=1S/C16H20O4/c1-9-5-6-12(11(3)15(18)20-4)8-16(19)10(2)7-13(17)14(9)16/h7,12,19H,3,5-6,8H2,1-2,4H3/t12-,16+/m1/s1
SMILES [C@@]12(C(=C(CC[C@H](C2)C(=C)C(=O)OC)C)C(=O)C=C1C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochaeris cretensis Ref.
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OrganismHypochaeris cretensis
ReferenceBohlmann,Phytochem.,21,(1982),2119