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 c1(ccc2c(c1O)C(=O)C1=C(C2=O)[C@@]2([C@](C=C1)(C[C@](CC2=O)(O)C)O)O[C@@H]1O[C@H]([C@H](CC1)O)C)[C@@H]1C[C@H]([C@H]([C@@H](O1)C)O)O[C@H]1CC[C@H](O[C@@H]2O[C@@H]([C@H](C(=O)C2)O)C)[C@H](O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceolatus Ref.
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OrganismStreptomyces violaceolatus
ReferenceHayakawa,J. Antibiotics,38,(1985),960