input word = C00017240

Metabolite InformationStructural formula
Name MC 033
Formula C49H61ClO16
Mw 940.36481361
CAS RN 134615-15-9
C_ID C00017240 ,
InChIKey ZELGFPMKYWIDEX-ARPVNXKFNA-N
InChICode InChI=1S/C49H61ClO16/c1-23-22-49-28(19-30(23)44(55)56)12-9-7-6-8-11-27-15-16-29-31(48(27,5)47(59)65-42(43(49)54)46(58)66-49)13-10-14-36(29)62-37-20-34(52)40(25(3)60-37)63-38-21-35(53)41(26(4)61-38)64-45(57)39-24(2)32(50)17-18-33(39)51/h9,12,15-19,23,25-29,31,34-38,40-41,51-54H,6-8,10-11,13-14,20-22H2,1-5H3,(H,55,56)/b12-9-/t23-,25-,26-,27-,28-,29-,31-,34-,35-,36+,37+,38+,40-,41-,48+,49?/m1/s1
SMILES Cc1c(Cl)ccc(O)c1C(=O)O[C@H]1[C@H](O)C[C@H](O[C@H]2[C@H](O)C[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]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. A7361 Ref.
zoom in