input word = C00017241

Metabolite InformationStructural formula
Name MC 034
Formula C49H61ClO17
Mw 956.35972823
CAS RN 134615-16-0
C_ID C00017241 ,
InChIKey GDKOCPOPNXYMKU-PZLYLIPDNA-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)13-10-14-34(28)63-46-38(54)37(53)40(25(4)62-46)64-35-20-33(52)39(24(3)61-35)65-44(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 [C@@H]1(C(=C[C@@H]2[C@@]3(C1)C(=C(C(=O)O3)OC(=O)[C@@]1([C@H](CCCC/C=C\2)C=C[C@H]2[C@H]1CCC[C@H]2O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(O)ccc(c1C)Cl)O)C)C)O)C(=O)O)C
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