input word = C00044568

Metabolite InformationStructural formula
Name Bonactin
Formula C21H36O7
Mw 400.2461035
CAS RN 618911-58-3
C_ID C00044568 ,
InChIKey JZCRGJSEBZCNAR-UHFFFAOYNA-N
InChICode InChI=1S/C21H36O7/c1-5-15(22)11-17-7-9-19(28-17)14(4)21(25)26-12(2)10-16-6-8-18(27-16)13(3)20(23)24/h12-19,22H,5-11H2,1-4H3,(H,23,24)/t12-,13-,14-,15+,16+,17+,18+,19+/m0/s1
SMILES CCC(O)CC1CCC(C(C)C(=O)OC(C)CC2CCC(C(C)C(=O)O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. BD21-2 Ref.
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OrganismStreptomyces sp. BD21-2
ReferenceSchumacher,J.Nat.Prod.,66,(2003),1291