input word = C00018378

Metabolite InformationStructural formula
Name Antibiotic TM 531B
Formula C46H76O14
Mw 852.52350714
CAS RN 80118-77-0
C_ID C00018378 ,
InChIKey GQTQZTGDYKBXJP-UHFFFAOYNA-N
InChICode InChI=1S/C46H76O14/c1-23(39(50)24(2)17-27(5)42(51)52)16-25(3)40-30(8)34(49)21-44(58-40)15-14-43(11,60-44)37-20-35(55-38-13-12-33(48)32(10)54-38)31(9)46(57-37)29(7)19-36(56-46)41-26(4)18-28(6)45(53,22-47)59-41/h16,24-38,40-41,47-49,53H,12-15,17-22H2,1-11H3,(H,51,52)/b23-16+/t24-,25+,26-,27-,28+,29-,30-,31-,32-,33+,34+,35+,36-,37+,38+,40+,41-,43+,44-,45-,46+/m0/s1
SMILES [C@H]1(C[C@@]2(O[C@@H]([C@H]1C)[C@H](C)/C=C(/C(=O)[C@H](C[C@H](C)C(=O)O)C)\C)O[C@](CC2)([C@@H]1O[C@@]2([C@H]([C@@H](C1)O[C@H]1O[C@H]([C@@H](CC1)O)C)C)[C@H](C[C@H](O2)[C@H]1O[C@]([C@@H](C[C@@H]1C)C)(CO)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus TM-531 Ref.
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