input word = C00036013

Metabolite InformationStructural formula
Name 4-epi-abietic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 24563-90-4
C_ID C00036013 ,
InChIKey RSWGJHLUYNHPMX-FTLAVVRGNA-N
InChICode InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20-/m0/s1
SMILES C1C[C@]([C@H]2[C@](C1)([C@@H]1C(=CC2)C=C(CC1)C(C)C)C)(C)C(=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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