input word = C00004927

Metabolite InformationStructural formula
Name Herbacetin 7,4'-dimethyl ether 8-butyrate
Formula C21H20O8
Mw 400.11581762
CAS RN 69306-85-0
C_ID C00004927 ,
InChIKey ZRKHWLRSNPTLPH-UHFFFAOYSA-N
InChICode InChI=1S/C21H20O8/c1-4-5-15(23)28-20-14(27-3)10-13(22)16-17(24)18(25)19(29-21(16)20)11-6-8-12(26-2)9-7-11/h6-10,22,25H,4-5H2,1-3H3
SMILES c1(cc(c2c(c1OC(=O)CCC)oc(c(c2=O)O)c1ccc(cc1)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaeNotholaena affinis Ref.
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