input word = C00031622

Metabolite InformationStructural formula
Name Barbatusol
(-)-Barbatusol
Formula C20H28O2
Mw 300.20893014
CAS RN 88515-76-8
C_ID C00031622 ,
InChIKey ZSBGZCORDLYKJB-AGDOHHJYNA-N
InChICode InChI=1S/C20H28O2/c1-12(2)15-10-13-7-8-17-14(6-5-9-20(17,3)4)11-16(13)19(22)18(15)21/h6,10,12,17,21-22H,5,7-9,11H2,1-4H3/t17-/m1/s1
SMILES C1CC=C2[C@H](C1(C)C)CCc1c(C2)c(c(c(c1)C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia przewalskii Ref.
PlantaeLamiaceaeColeus barbatus Ref.
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OrganismColeus barbatus
ReferenceKelecorn,Phytochem.,23,(1984),1677