input word = C00016972

Metabolite InformationStructural formula
Name Eremofortin A
Formula C17H22O5
Mw 306.14672381
CAS RN 62445-06-1
C_ID C00016972 ,
InChIKey NQRGNSMJSDQOED-INGLDEDONA-N
InChICode InChI=1S/C17H22O5/c1-8-12(20-9(2)18)14-13(21-14)10-6-11(19)17(7-16(8,10)5)15(3,4)22-17/h6,8,12-14H,7H2,1-5H3/t8-,12+,13-,14+,16+,17-/m0/s1
SMILES C1(=O)[C@@]2(C[C@]3(C(=C1)[C@H]1[C@@H]([C@@H]([C@@H]3C)OC(=O)C)O1)C)C(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium roquefortii Ref.
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OrganismPenicillium roquefortii
ReferenceMoreau,J.Org.Chem.42,(1977),2632

Moreau,Tetrahedron,36,(1980),2989