input word = C00053358

Metabolite InformationStructural formula
Name Isocupressic acid, methyl ester
Formula C21H34O3
Mw 334.25079495
CAS RN 3954-67-4
C_ID C00053358
InChIKey LPLVHEIZIMARCP-LCYMFIOTSA-N
InChICode InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h11,17-18,22H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20+,21-/m0/s1
SMILES C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceShpatov, A. V. et al., Chem. Biodiv., 14, (2017), e1600203.