input word = C00023321

Metabolite InformationStructural formula
Name Vulgarol
Formula C20H36O2
Mw 308.27153039
CAS RN 11056-03-4
C_ID C00023321 ,
InChIKey LEOHDQKUMQKLMP-BDIQWMKMNA-N
InChICode InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17-,19-,20-/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@H]([C@](CC2)(C)O)CC/C(=C/CO)/C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium vulgare Ref.
PlantaeLabiataeOtostegia fruticosa Ref.
PlantaeLabiataeOtostegia integrifolia Ref.
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OrganismOtostegia fruticosa
ReferenceAl-Musayeib,Phytochem.,54,(2000),771