input word = C00016803

Metabolite InformationStructural formula
Name AG 2
BMY 28750
Benanomicinone
Pradimicinone I
Formula C28H23NO11
Mw 549.12711059
CAS RN 116276-03-0
C_ID C00016803 ,
InChIKey MXDWXJYFRRURMW-UHFFFAOYNA-N
InChICode InChI=1S/C28H23NO11/c1-8-4-11-18(25(35)16(8)27(37)29-9(2)28(38)39)19-13(24(34)23(11)33)7-14-20(26(19)36)22(32)12-5-10(40-3)6-15(30)17(12)21(14)31/h4-7,9,23-24,30,33-36H,1-3H3,(H,29,37)(H,38,39)/t9-,23-,24+/m1/s1
SMILES c12c(C(=O)c3c(C1=O)c(c1c(c3)[C@@H]([C@@H](c3c1c(c(c(c3)C)C(=O)N[C@H](C)C(=O)O)O)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura verrucosospora subsp. neohibisca E-40 mutant Ref.
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