input word = C00053921

Metabolite InformationStructural formula
Name Asacoumarin A
Formula C24H30O5
Mw 398.20932407
CAS RN 122617-02-1
C_ID C00053921
InChIKey NFXNEAJDYTXPLG-CBXDKUCNSA-N
InChICode InChI=1S/C24H30O5/c1-16(2)5-9-22(26)18(4)14-20(25)13-17(3)11-12-28-21-8-6-19-7-10-24(27)29-23(19)15-21/h5-8,10-11,14-15,20,22,25-26H,9,12-13H2,1-4H3/b17-11+,18-14+
SMILES C/C(C)=CCC(O)/C(C)=C/C(O)C/C(C)=C/COC1=CC(OC(C=C2)=O)=C2C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula assa-foetida Ref.
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