input word = C00019986

Metabolite InformationStructural formula
Name Obtusifolin(coumarin)
Formula C20H22O3
Mw 310.15689457
CAS RN 116538-28-4
C_ID C00019986 ,
InChIKey ZCHGCYXNSBHAEG-CSKARUKUSA-N
InChICode InChI=1S/C20H22O3/c1-7-20(4,5)16-12-14-9-11-17(22-6)15(10-8-13(2)3)18(14)23-19(16)21/h7-12H,1-2H2,3-6H3/b10-8+
SMILES c1(ccc2c(c1/C=C/C(=C)C)oc(=O)c(c2)C(C)(C=C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum obtusifolium Ref.
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OrganismHaplophyllum obtusifolium
ReferenceBessonova,Khim. Prir. Soedin.,(1988),187