input word = C00031956

Metabolite InformationStructural formula
Name Komodoquinone A
Formula C27H31NO10
Mw 529.19479622
CAS RN 630094-57-4
C_ID C00031956 ,
InChIKey QHKOGJYMAOSTLN-DSNKLVIENA-N
InChICode InChI=1S/C27H31NO10/c1-10-20(30)19(28(3)4)25(35)26(37-10)38-14-7-5-6-11-16(14)24(34)18-17(21(11)31)22(32)12-8-27(2,36)9-13(29)15(12)23(18)33/h5-7,10,13,19-20,25-26,29-30,32-33,35-36H,8-9H2,1-4H3/t10-,13-,19+,20+,25-,26-,27-/m0/s1
SMILES c12c(cccc1O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)N(C)C)O)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. KS3 Ref.
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OrganismStreptomyces sp. KS3
ReferenceItoh,Chem.Pharm.Bull.,51,(2003),1402