input word = C00017249

Metabolite InformationStructural formula
Name KS 505
KS 505a
Formula C61H88O17
Mw 1092.60215139
CAS RN 131774-53-3
C_ID C00017249 ,
InChIKey DBIAGVXGCNWASW-JJDBEMEQNA-N
InChICode InChI=1S/C61H88O17/c1-30-25-40-54(4,21-15-39-57(40,7)31(2)26-42(58(39,8)52(70)71)75-51-48(74-10)46(66)45(65)47(76-51)49(67)68)35-13-19-53(3)36(56(30,35)6)16-22-59(28-62)37(53)14-20-55(5)38(59)17-23-60(29-63)41(55)27-32-34(77-60)12-11-33-44(32)50(69)78-61(33,72)24-18-43(64)73-9/h11-12,30-31,35-42,45-48,51,62-63,65-66,72H,13-29H2,1-10H3,(H,67,68)(H,70,71)/t30-,31+,35-,36+,37-,38-,39+,40-,41+,42-,45+,46+,47+,48-,51-,53-,54+,55-,56+,57-,58-,59-,60+,61-/m1/s1
SMILES COC(=O)CCC1(O)OC(=O)c2c1ccc1c2CC2C(CO)(CCC3C2(C)CCC2C4(C)CCC5C6(C)CCC7C(C)(C(=O)O)C(O[C@@H]8OC(C(=O)O)[C@@H](O)[C@H](O)C8OC)CC(C)C7(C)C6CC(C)C5(C)C4CCC32CO)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces argenteolus A-2 Ref.
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