input word = C00017691

Metabolite InformationStructural formula
Name KS 502
KS 502 (enzyme inhibitor)
Formula C34H48O12
Mw 648.314577
CAS RN 120634-85-7
C_ID C00017691 ,
InChIKey DXFBFWMLNIWYDA-KJEMDGOINA-N
InChICode InChI=1S/C34H48O12/c1-3-5-7-9-11-13-20-15-22(36)17-26(45-34-30(40)29(39)31(46-34)25(38)19-35)28(20)33(43)44-23-16-21(14-12-10-8-6-4-2)27(32(41)42)24(37)18-23/h15-18,25,29-31,34-40H,3-14,19H2,1-2H3,(H,41,42)/t25-,29+,30-,31+,34-/m1/s1
SMILES c1(cc(cc(c1C(=O)O)CCCCCCC)OC(=O)c1c(cc(cc1CCCCCCC)O)O[C@@H]1O[C@H]([C@H]([C@H]1O)O)[C@@H](CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiOphiostomataceaeSporothrix sp. KAC-1985 Ref.
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OrganismSporothrix sp. KAC-1985
ReferenceNakanishi,J.Antibiotics 42,(1989),1049