input word = C00042118

Metabolite InformationStructural formula
Name 3alpha-Hydroxyvalpara-4,15-dien-2-one
Formula C20H30O2
Mw 302.2245802
CAS RN 215608-21-2
C_ID C00042118 ,
InChIKey JQQHFIYBHXOKCW-ICKICYLPNA-N
InChICode InChI=1S/C20H30O2/c1-13(2)14-6-10-19(4)15(14)7-9-18(3)12-17(21)20(5,22)11-8-16(18)19/h8,11,14-16,22H,1,6-7,9-10,12H2,2-5H3/t14-,15+,16-,18+,19+,20-/m0/s1
SMILES [C@H]12[C@](CC[C@H]3[C@]1(CC[C@H]3C(=C)C)C)(CC(=O)[C@](C=C2)(O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeHalimium viscosum Ref.
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OrganismHalimium viscosum
ReferenceRodilla,Phytochem.,49,(1998),817