input word = C00035896

Metabolite InformationStructural formula
Name Vulgarol B
Formula C15H24O
Mw 220.18271539
CAS RN 70223-62-0
C_ID C00035896 ,
InChIKey XQPMEWZJPNAPBK-UHFFFAOYNA-N
InChICode InChI=1S/C15H24O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,10-13,16H,5-7H2,1-4H3/t10-,11-,12+,13-,15+/m0/s1
SMILES [C@H]12C(CCC[C@@]3([C@H]1C(=C[C@@H]([C@H]23)O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea sessilis Ref.
PlantaeCyperaceaeCyperus rotundus L. Ref.
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OrganismCyperus rotundus L.
ReferenceLawal et al.,Molecules,14,(2009),2909-2917