input word = C00034437

Metabolite InformationStructural formula
Name Asperugin B
Formula C23H30O5
Mw 386.20932407
CAS RN 14522-05-5
C_ID C00034437 ,
InChIKey UDBSZUYIWDXRKO-XURGJTJWSA-N
InChICode InChI=1S/C23H30O5/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-28-23-21(26)13-19(14-24)20(15-25)22(23)27/h7,9,11,13-15,26-27H,5-6,8,10,12H2,1-4H3/b17-9+,18-11+
SMILES c1(cc(c(c(c1OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C=O)C=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus rugulosus Ref.
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