input word = C00016540

Metabolite InformationStructural formula
Name Antibiotic C 076B2a
Avermectin B2a
L 676897
Formula C48H74O15
Mw 890.5027717
CAS RN 65195-57-5
C_ID C00016540 ,
InChIKey CWGATOJEFAKFBK-PCSLTXRUNA-N
InChICode InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24-,25-,28-,29-,30-,32+,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1
SMILES [C@@H]1([C@@H](O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](O[C@H](C[C@@H]1OC)O[C@H]1[C@H](/C=C/C=C\2/[C@]3([C@H](C(=O)O[C@@H]4C[C@H](O[C@]5(C4)C[C@@H]([C@@H]([C@H](O5)[C@H](CC)C)C)O)C/C=C/1\C)C=C([C@H]([C@H]3OC2)O)C)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces avermitilis Ref.
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OrganismStreptomyces avermitilis
ReferenceIkeda,J.Antibiotics 48,(1995),532