input word = C00053540

Metabolite InformationStructural formula
Name Neoabietic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 471-77-2
C_ID C00053540
InChIKey KGMSWPSAVZAMKR-ONCXSQPRSA-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/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
SMILES C[C@]1(C(O)=O)[C@]2([H])CCC3=C/C(CC[C@]3([H])[C@@]2(C)CCC1)=C(C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
PlantaePinaceaePinus taeda Ref.
--Sitka spruce Ref.
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