input word = C00034438

Metabolite InformationStructural formula
Name Asperugin C
Formula C23H32O4
Mw 372.23005951
CAS RN 33514-96-4
C_ID C00034438 ,
InChIKey GBEALZXDMSUKNN-VZRGJMDUSA-N
InChICode InChI=1S/C23H32O4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-27-23-19(5)20(15-24)21(25)14-22(23)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
SMILES c1(cc(c(c(c1OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C)C=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus rugulosus Ref.
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OrganismAspergillus rugulosus
ReferenceEpifano,Phytochem.,68,(2007),939