input word = C00016587

Metabolite InformationStructural formula
Name BMS 192548
Formula C21H18O9
Mw 414.09508217
CAS RN 170663-42-0
C_ID C00016587 ,
InChIKey CIWXXQSJBGNZNJ-UHFFFAOYNA-N
InChICode InChI=1S/C21H18O9/c1-8(22)14-13(24)7-20(28)6-10-3-9-4-11(30-2)5-12(23)15(9)17(25)16(10)19(27)21(20,29)18(14)26/h3-5,23-24,27-29H,6-7H2,1-2H3/t20-,21-/m1/s1
SMILES c1(cc(c2c(c1)C=C1C(=C([C@]3([C@@](C1)(CC(=C(C3=O)C(=O)C)O)O)O)O)C2=O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger WB2346 Ref.
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