input word = C00018671

Metabolite InformationStructural formula
Name Aburamycin C
Formula C57H84O25
Mw 1168.53016824
CAS RN 37847-80-6
C_ID C00018671 ,
InChIKey ILLHFKQNRGTFDL-UHFFFAOYNA-N
InChICode InChI=1S/C57H84O25/c1-21(2)56(68)82-55-28(9)76-41(20-57(55,10)69)80-36-18-39(73-25(6)48(36)64)79-35-19-40(74-26(7)47(35)63)81-54-31(53(71-12)51(67)45(61)23(4)58)14-29-13-30-15-33(22(3)44(60)42(30)49(65)43(29)50(54)66)77-38-17-34(46(62)24(5)72-38)78-37-16-32(59)52(70-11)27(8)75-37/h13,15,21,23-28,31-32,34-41,45-48,52-55,58-65,69H,14,16-20H2,1-12H3/t23-,24+,25+,26-,27-,28-,31-,32-,34+,35-,36+,37+,38-,39-,40-,41+,45-,46-,47-,48-,52+,53-,54+,55-,57+/m1/s1
SMILES c12c(C(=O)[C@H]([C@H](C1)[C@@H](OC)C(=O)[C@H](O)[C@H](O)C)O[C@@H]1C[C@H]([C@@H]([C@H](O1)C)O)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O[C@@H]1O[C@@H]([C@H]([C@@](C1)(C)O)OC(=O)C(C)C)C)c(c1c(c2)cc(c(c1O)C)O[C@H]1O[C@H]([C@H]([C@H](C1)O[C@H]1C[C@H]([C@H]([C@H](O1)C)OC)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis sp. n. S-66 Ref.
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