input word = C00022770

Metabolite InformationStructural formula
Name Pinusolidic acid
Formula C20H28O4
Mw 332.19875938
CAS RN 40433-82-7
C_ID C00022770 ,
InChIKey FHQSDRHZGCMBKG-DYEDDOQCNA-N
InChICode InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16+,19+,20-/m0/s1
SMILES C1C[C@]([C@H]2[C@](C1)([C@H](C(=C)CC2)CCC1=CCOC1=O)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaePlatycladus orientalis Ref.
PlantaeCupressaceaeThuja orientalis Ref.
-- Ref.
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OrganismThuja orientalis
ReferenceAsili, et al., JNP, 67, (2004), 631