input word = C00048562

Metabolite InformationStructural formula
Name Vierol
Formula C20H34O2
Mw 306.25588033
CAS RN 24532-72-7
C_ID C00048562 ,
InChIKey XZESVXVYTBMYCR-VYRUZLNGNA-N
InChICode InChI=1S/C20H34O2/c1-17(13-21)8-4-9-18(2)15(17)7-10-20-11-14(5-6-16(18)20)19(3,22)12-20/h14-16,21-22H,4-13H2,1-3H3/t14-,15-,16+,17-,18-,19-,20+/m1/s1
SMILES C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis canariensis Ref.
PlantaeLabiataeSideritis discolor Ref.
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OrganismSideritis canariensis
ReferenceGarcia-Granados,Phytochem.,12,(1973),1113