input word = C00004920

Metabolite InformationStructural formula
Name Isognaphalin 8-butyrate
Formula C21H20O7
Mw 384.12090299
CAS RN 98204-85-4
C_ID C00004920 ,
InChIKey YJSTXVOTUMVWLV-UHFFFAOYSA-N
InChICode InChI=1S/C21H20O7/c1-4-8-15(23)27-19-14(25-2)11-13(22)16-17(24)21(26-3)18(28-20(16)19)12-9-6-5-7-10-12/h5-7,9-11,22H,4,8H2,1-3H3
SMILES CCCC(=O)Oc1c(OC)cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaeNotholaena candida Ref.
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