input word = C00018523

Metabolite InformationStructural formula
Name Ditrisarubicin C
Formula C60H80N2O21
Mw 1164.52535764
CAS RN 87385-18-0
C_ID C00018523 ,
InChIKey SGOOJJACKKMDRV-YPFFKHODNA-N
InChICode InChI=1S/C60H80N2O21/c1-12-60(70)24-40(79-43-20-32(61(8)9)56(29(6)73-43)81-45-23-38-57(30(7)75-45)83-59-39(77-38)22-36(65)26(3)76-59)47-50(54(69)48-49(53(47)68)52(67)46-31(51(48)66)14-13-15-35(46)64)58(60)82-44-21-33(62(10)11)55(28(5)74-44)80-42-19-17-37(27(4)72-42)78-41-18-16-34(63)25(2)71-41/h13-16,18,25-30,32-33,37-45,55-59,64,68-70H,12,17,19-24H2,1-11H3/t25-,26-,27+,28+,29-,30-,32+,33-,37-,38-,39-,40+,41-,42-,43+,44-,45-,55+,56-,57+,58+,59-,60-/m0/s1
SMILES O([C@H]1c2c([C@H]([C@@](C1)(CC)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)N(C)C)O[C@@H]1O[C@@H]([C@@H](O[C@H]3C=CC(=O)[C@@H](O3)C)CC1)C)C)c(c1c(c2O)C(=O)c2c(C1=O)cccc2O)O)[C@H]1O[C@H]([C@H](O[C@H]2C[C@H]3[C@@H]([C@@H](O2)C)O[C@H]2[C@@H](O3)CC(=O)[C@@H](O2)C)[C@@H](C1)N(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces cyaneus MG344-hF49 Ref.
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OrganismStreptomyces cyaneus MG344-hF49
ReferenceUchida,J. Antibiotics,36,(1983),1080