input word = C00017905

Metabolite InformationStructural formula
Name Antibiotic MM 44785
MM 44785
Formula C28H32O13
Mw 576.18429111
CAS RN 115178-40-0
C_ID C00017905 ,
InChIKey OICAJLIOAMCHNL-UHFFFAOYNA-N
InChICode InChI=1S/C28H32O13/c1-9-13(29)4-5-17(37-9)40-15-7-14-18-21(27(15,35)10(2)39-14)23(32)20-19(22(18)31)24(33)26-8-12(6-16(30)41-26)38-11(3)28(26,36)25(20)34/h9-15,17,29,31-32,35-36H,4-8H2,1-3H3/t9-,10+,11-,12+,13+,14-,15-,17+,26+,27-,28-/m0/s1
SMILES C[C@H]1O[C@@H]2c3c([C@]1([C@H](C2)O[C@@H]1CC[C@H]([C@@H](O1)C)O)O)c(c1c(c3O)C(=O)[C@]23[C@@](C1=O)([C@@H](O[C@H](CC(=O)O2)C3)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces lateritius ATCC 19913 Ref.
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