input word = C00045291

Metabolite InformationStructural formula
Name Dehydroabietic acid methyl ester
(+)-Dehydroabietic acid methyl ester
Methyl dehydroabietate
Formula C21H30O2
Mw 314.2245802
CAS RN 1235-74-1
C_ID C00045291 ,
InChIKey PGZCJOPTDHWYES-WHJGUBRCNA-N
InChICode InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1
SMILES COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus mugo subsp. Mugo Ref.
PlantaePinaceaePinus sibirica Ref.
--Poria cocos Ref.
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OrganismPoria cocos
ReferenceUkiya,J.Nat.Prod.,65,(2002),462