input word = C00017612

Metabolite InformationStructural formula
Name Rubiginone A1
Formula C20H18O5
Mw 338.11542369
CAS RN 130364-38-4
C_ID C00017612 ,
InChIKey MIBAJSFXKXYYJK-GWPNGTEGNA-N
InChICode InChI=1S/C20H18O5/c1-9-8-13(21)15-11(18(9)22)6-7-12-17(15)20(24)10-4-3-5-14(25-2)16(10)19(12)23/h3-7,9,13,18,21-22H,8H2,1-2H3/t9-,13+,18+/m1/s1
SMILES c1cc(c2c(c1)C(=O)c1c(C2=O)ccc2c1[C@H](C[C@H]([C@@H]2O)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseorubiginosus No.Q144-2 Ref.
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