input word = C00018649

Metabolite InformationStructural formula
Name Antibiotic A 32Y1
Kerriamycin A
Formula C43H54O17
Mw 842.3361003
CAS RN 98474-20-5
C_ID C00018649 ,
InChIKey XRDAMDDZBYHZDC-LNDPNDDTNA-N
InChICode InChI=1S/C43H54O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25,27-29,31-33,36-37,44,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19+,20+,21-,25-,27-,28-,29+,31-,32-,33-,36+,37-,41-,42-,43-/m0/s1
SMILES CC1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O[C@H]5CC[C@H](O)C(C)O5)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)OC(C)[C@H]2O)CC[C@@H]1O[C@H]1CC(=O)[C@H](O)[C@@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceolatus Ref.
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