input word = C00018081

Metabolite InformationStructural formula
Name Enterocin
Vulgamycin
Formula C22H20O10
Mw 444.10564686
CAS RN 59678-46-5
C_ID C00018081 ,
InChIKey CTBBEXWJRAPJIZ-PDGGLNPONA-N
InChICode InChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3/t13-,16-,17+,18-,20-,21+,22-/m1/s1
SMILES COc1cc([C@H]2[C@@]3(O)C(O)[C@H]4C[C@]2(O)[C@](O)(C(=O)O4)[C@H]3C(=O)c2ccccc2)oc(=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces candidus var. enterostaticus WS-8096 Ref.
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