input word = C00000873

Metabolite InformationStructural formula
Name Aphidicolin
Aphidicolane-3alpha,16,17,18-tetraol
Formula C20H34O4
Mw 338.24570957
CAS RN 38966-21-1
C_ID C00000873 ,
InChIKey NOFOAYPPHIUXJR-SSBDWBTFNA-N
InChICode InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
SMILES C1[C@H]([C@@]([C@H]2[C@](C1)([C@]13[C@@H](CC2)C[C@H](C1)[C@@](CC3)(O)CO)C)(C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cephalosporium aphidicola Ref.
--Harziella entomophilla Ref.
--Nigrospora sphaerica Ref.
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OrganismCephalosporium aphidicola
ReferenceDalziel,J.Chem.Soc,Perkin Trans.I,(1973),2841