input word = C00047927

Metabolite InformationStructural formula
Name Isoemericellin
Formula C25H28O5
Mw 408.193674
CAS RN 594860-24-9
C_ID C00047927 ,
InChIKey MDBQNLFOBADTEY-UHFFFAOYSA-N
InChICode InChI=1S/C25H28O5/c1-14(2)6-7-17-8-9-19-22(23(17)27)24(28)21-18(13-26)25(29-11-10-15(3)4)16(5)12-20(21)30-19/h6,8-10,12,26-27H,7,11,13H2,1-5H3
SMILES CC(C)=CCOc1c(C)cc2oc3ccc(CC=C(C)C)c(O)c3c(=O)c2c1CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Emericella rugulosa Ref.
--Emericella variecolor Ref.
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