input word = C00017239

Metabolite InformationStructural formula
Name MC 032
Formula C49H61ClO17
Mw 956.35972823
CAS RN 134615-17-1
C_ID C00017239 ,
InChIKey SYLYEYLFHIICFD-FTBPEKHUNA-N
InChICode InChI=1S/C49H61ClO17/c1-22-21-49-27(19-29(22)43(56)57)12-9-7-6-8-11-26-15-16-28-30(48(26,5)47(60)66-41(42(49)55)45(59)67-49)13-10-14-33(28)64-46-39(54)38(53)40(25(4)62-46)65-35-20-34(37(52)24(3)61-35)63-44(58)36-23(2)31(50)17-18-32(36)51/h9,12,15-19,22,24-28,30,33-35,37-40,46,51-55H,6-8,10-11,13-14,20-21H2,1-5H3,(H,56,57)/b12-9-/t22-,24-,25-,26-,27-,28+,30-,33-,34-,35+,37-,38-,39-,40-,46+,48-,49+/m1/s1
SMILES Cc1c(Cl)ccc(O)c1C(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](O)C(O)[C@H](O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCC/C=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@@]43C)O[C@@H]2C)O[C@H](C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. A7361 Ref.
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OrganismStreptomyces sp. A7361
ReferenceKawashima,J.Antibiotics 45,(1992),207