input word = C00018142

Metabolite InformationStructural formula
Name Baumycin A1
Formula C34H43NO13
Mw 673.27344047
CAS RN 64314-28-9
C_ID C00018142 ,
InChIKey MWURQTZZKGQQIE-UHFFFAOYNA-N
InChICode InChI=1S/C34H43NO13/c1-14(37)9-23(45-15(2)13-36)48-33-16(3)46-24(10-20(33)35)47-22-12-34(43,17(4)38)11-19-26(22)32(42)28-27(30(19)40)29(39)18-7-6-8-21(44-5)25(18)31(28)41/h6-8,14-16,20,22-24,33,36-37,40,42-43H,9-13,35H2,1-5H3/t14-,15+,16-,20-,22-,23-,24+,33+,34-/m0/s1
SMILES C1[C@@](Cc2c([C@H]1O[C@H]1O[C@H]([C@@H](O[C@@H](C[C@@H](O)C)O[C@H](C)CO)[C@H](C1)N)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2)OC)O)(C(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces coeruleorubidus sp. ME130-A4 Ref.
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OrganismStreptomyces coeruleorubidus sp. ME130-A4
ReferenceKomiyama,J. Antibiotics,30,(1977),619