input word = C00053053

Metabolite InformationStructural formula
Name Byakangelicol
Formula C17H16O6
Mw 316.09468824
CAS RN 26091-79-2
C_ID C00053053
InChIKey ORBITTMJKIGFNH-LLVKDONJSA-N
InChICode InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1
SMILES COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus lemon Ref.
PlantaeRutaceaeCitrus limon Ref.
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OrganismCitrus lemon
ReferenceDugrand, A. et al., J. Agric. Food. Chem., 61, (2013), 10677-10684.