input word = C00051565

Metabolite InformationStructural formula
Name Methyl lambertianate
Lambertianic acid, methyl ester
Formula C21H30O3
Mw 330.21949482
CAS RN 4966-14-7
C_ID C00051565
InChIKey DCZZBGIVZGGJDO-RVOBVJIZNA-N
InChICode InChI=1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18+,20+,21-/m0/s1
SMILES C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus koraiensis
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)