input word = C00017592

Metabolite InformationStructural formula
Name Antibiotic A 82810
CP 84657
Formula C45H78O14
Mw 842.5391572
CAS RN 127759-24-4
C_ID C00017592 ,
InChIKey GCWRBUNCTDXUMB-UHFFFAOYNA-N
InChICode InChI=1S/C45H78O14/c1-15-32(46)42(10)21-24(3)45(49,59-42)33-20-23(2)38(55-33)43(11)22-31(54-34-17-16-30(50-12)29(8)53-34)39(57-43)41(9)18-19-44(58-41)28(7)37(52-14)26(5)36(56-44)25(4)35(51-13)27(6)40(47)48/h23-39,46,49H,15-22H2,1-14H3,(H,47,48)/t23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39+,41+,42-,43+,44+,45-/m1/s1
SMILES [C@H]1(O[C@@]2([C@@H]([C@H]([C@@H]1C)OC)C)CC[C@@](O2)(C)[C@@H]1[C@@H](C[C@@](O1)(C)[C@H]1[C@@H](C[C@H](O1)[C@@]1(O[C@@](C[C@H]1C)(C)[C@@H](O)CC)O)C)O[C@@H]1CC[C@@H]([C@H](O1)C)OC)[C@@H](C)[C@H](OC)[C@H](C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura sp. ATCC 53708 Ref.
zoom in