input word = C00007066

Metabolite InformationStructural formula
Name Xanthoangelol E
Formula C21H22O6
Mw 370.14163844
CAS RN 132998-84-6
C_ID C00007066 ,
InChIKey AJERVVHSERWGFL-UXBLZVDNNA-N
InChICode InChI=1S/C21H22O6/c1-13(2)20(27-25)12-17-19(26-3)11-9-16(21(17)24)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,20,22,24-25H,1,12H2,2-3H3/b10-6+/t20-/m0/s1
SMILES C=C(C)C(Cc1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica keiskei Ref.
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