input word = C00048345

Metabolite InformationStructural formula
Name Candol A
Formula C20H32O
Mw 288.24531564
CAS RN 53060-60-9
C_ID C00048345 ,
InChIKey WJSZZAMAQPVPRJ-ZGZKMDJPNA-N
InChICode InChI=1S/C20H32O/c1-13-11-20-12-14(13)6-7-15(20)19(4)9-5-8-18(2,3)16(19)10-17(20)21/h14-17,21H,1,5-12H2,2-4H3/t14-,15+,16-,17+,19+,20+/m1/s1
SMILES C1[C@@H]2[C@]3(C[C@@H](C1)C(=C)C3)[C@H](C[C@H]1[C@]2(CCCC1(C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis candicans Ref.
PlantaeLabiataeSideritis soluta Ref.
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OrganismSideritis candicans
ReferenceGarcia-Granados,Phytochem.,12,(1973),2721