input word = C00018496

Metabolite InformationStructural formula
Name Antibiotic X 14868C
LL-C 23024beta
Maduramicin beta
Formula C46H78O17
Mw 902.52390107
CAS RN 79331-53-6
C_ID C00018496 ,
InChIKey YLJZFEIUUCJGFL-UHFFFAOYNA-N
InChICode InChI=1S/C46H78O17/c1-22-17-23(2)44(9,51)60-36(22)30-18-31(57-34-19-29(53-10)39(54-11)27(6)56-34)41(58-30)43(8)14-13-32(59-43)42(7)15-16-45(63-42)20-28(47)24(3)37(61-45)25(4)38-40(55-12)35(50)26(5)46(52,62-38)21-33(48)49/h22-32,34-41,47,50-52H,13-21H2,1-12H3,(H,48,49)/t22-,23+,24-,25-,26-,27+,28+,29+,30-,31-,32-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+/m1/s1
SMILES [C@@H]1([C@@H](C[C@@H]([C@](O1)(C)O)C)C)[C@@H]1O[C@H]([C@@H](C1)O[C@@H]1O[C@H]([C@@H]([C@H](C1)OC)OC)C)[C@@]1(O[C@H](CC1)[C@@]1(O[C@@]2(CC1)C[C@@H]([C@H]([C@@H](O2)[C@@H](C)[C@H]1[C@H]([C@H]([C@H]([C@@](O1)(CC(=O)O)O)C)O)OC)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. X-14868 Ref.
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