input word = C00022380

Metabolite InformationStructural formula
Name 8alpha,13R-Epoxy-14-labden-19-oic acid
Formula C21H34O3
Mw 334.25079495
CAS RN 56687-75-3
C_ID C00022380 ,
InChIKey HFWSHEGCAPRVLI-XUYOJWKSNA-N
InChICode InChI=1S/C21H34O3/c1-7-18(2)13-9-16-19(3)11-8-12-20(4,17(22)23-6)15(19)10-14-21(16,5)24-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20+,21-/m1/s1
SMILES C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@](C)(C(=O)OC)[C@@H]3CC[C@@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sylvestris Ref.
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OrganismPinus sylvestris
ReferenceBardyshev,Khim. Prir. Soedin.,18,(1982),480