input word = C00015514

Metabolite InformationStructural formula
Name Rubiginone I
Formula C23H20O7
Mw 408.12090299
CAS RN 274913-74-5
C_ID C00015514 ,
InChIKey IABFCFVKJYQRCS-UKEXRKRRNA-N
InChICode InChI=1S/C23H20O7/c1-10-17(25)18(26)16-13(19(10)30-11(2)24)7-8-22-9-23(16,22)20(27)12-5-4-6-14(29-3)15(12)21(22)28/h4-8,10,17,19,25H,9H2,1-3H3/t10-,17+,19-,22+,23+/m1/s1
SMILES c12c(C(=O)[C@]34[C@](C1=O)(C1=C(C=C3)[C@@H]([C@@H]([C@@H](C1=O)O)C)OC(=O)C)C4)c(ccc2)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. Go N1/5 Ref.
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