input word = C00039402

Metabolite InformationStructural formula
Name Igernellin
Formula C25H40O2
Mw 372.30283052
CAS RN 181363-78-0
C_ID C00039402 ,
InChIKey UJVZMYQCMKGVLL-DNTJNYDQNA-N
InChICode InChI=1S/C25H40O2/c1-20(13-14-24-21(2)9-7-16-25(24,3)4)8-5-10-22(18-26)11-6-12-23-15-17-27-19-23/h8-9,15,17,19,22,24,26H,5-7,10-14,16,18H2,1-4H3/b20-8+/t22-,24-/m1/s1
SMILES CC1=CCCC(C)(C)C1CC/C(C)=C/CCC(CO)CCCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia irregularis Ref.
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OrganismSpongia irregularis
ReferenceCarr,J.Nat.Prod.,70,(2007),1812