input word = C00018354

Metabolite InformationStructural formula
Name Antibiotic FA 1180B1
Rubeomycin B1
Formula C33H43NO13
Mw 661.27344047
CAS RN 78366-45-7
C_ID C00018354 ,
InChIKey QSLSPJFMOXHLJX-FRRYPTEXNA-N
InChICode InChI=1S/C33H43NO13/c1-13(36)8-22(44-14(2)12-35)47-32-15(3)45-23(9-19(32)34)46-21-11-33(43,16(4)37)10-18-25(21)31(42)27-26(29(18)40)28(39)17-6-5-7-20(38)24(17)30(27)41/h5-7,13-16,19,21-23,32,35-38,40,42-43H,8-12,34H2,1-4H3/t13-,14+,15-,16-,19-,21+,22+,23+,32-,33+/m0/s1
SMILES c1ccc2c(c1O)C(=O)c1c(C2=O)c(c2c(c1O)[C@@H](C[C@@](C2)(O)[C@H](C)O)O[C@H]1O[C@H]([C@H](O[C@H](C[C@H](C)O)O[C@@H](CO)C)[C@H](C1)N)C)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura roseoviolacea var. biwakoensis nov. var. Ref.
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OrganismActinomadura roseoviolacea var. biwakoensis nov. var.
ReferenceOgawa,J. Antibiotics,34,(1981),938