input word = C00044200

Metabolite InformationStructural formula
Name Isoethuliacoumarin B
Formula C20H22O5
Mw 342.14672381
CAS RN 76235-77-3
C_ID C00044200 ,
InChIKey WEPZBXOVWNYLTR-NQDYJFDNNA-N
InChICode InChI=1S/C20H22O5/c1-6-19(5)10-20(17(22)18(3,4)25-20)24-15-13-11(2)8-7-9-12(13)23-16(21)14(15)19/h6-9,17,22H,1,10H2,2-5H3/t17-,19-,20-/m0/s1
SMILES c1ccc2c(c1C)c1c(c(=O)o2)[C@](C[C@@]2(O1)[C@H](C(O2)(C)C)O)(C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEthulia conyzoides Ref.
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OrganismEthulia conyzoides
ReferenceMahmoud,Phytochem.,48,(1998),543