input word = C00036008

Metabolite InformationStructural formula
Name 3beta-Hydroxyisopimaric acid
Formula C20H30O3
Mw 318.21949482
CAS RN 792933-04-1
C_ID C00036008 ,
InChIKey YBMBNIGMAOBBDE-AURXUATNNA-N
InChICode InChI=1S/C20H30O3/c1-5-18(2)10-8-14-13(12-18)6-7-15-19(14,3)11-9-16(21)20(15,4)17(22)23/h5-6,14-16,21H,1,7-12H2,2-4H3,(H,22,23)/t14-,15+,16-,18-,19+,20-/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1C(=CC2)C[C@](CC1)(C=C)C)C)(C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus phoenicea Ref.
PlantaeCupressaceaeJuniperus thurifera var.africana Ref.
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OrganismJuniperus thurifera var.africana
ReferenceBarrero,Phytochem.,65,(2003),2507