input word = C00018266

Metabolite InformationStructural formula
Name Antibiotic A 130C
Formula C47H78O13
Mw 850.54424258
CAS RN 73522-76-6
C_ID C00018266 ,
InChIKey LQFPDTISEHAMNQ-WJEOMLNLNA-N
InChICode InChI=1S/C47H78O13/c1-25(19-26(2)41(49)27(3)20-29(5)43(50)51)36-23-37(55-40-16-14-35(53-12)34(10)54-40)33(9)46(56-36)18-17-44(11,60-46)39-15-13-30(6)47(58-39)32(8)22-38(57-47)42-28(4)21-31(7)45(52,24-48)59-42/h19,25,27-40,42,48,52H,13-18,20-24H2,1-12H3,(H,50,51)/b26-19+/t25-,27+,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,42-,44-,45-,46+,47+/m0/s1
SMILES [C@@H]1(CC[C@@H](O[C@@H]1C)O[C@H]1[C@H]([C@@]2(O[C@@H](C1)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)CC[C@@](O2)(C)[C@@H]1O[C@]2([C@@H](CC1)C)[C@H](C[C@@H](O2)[C@@H]1[C@H](C[C@@H]([C@@](O1)(CO)O)C)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus A-130 Ref.
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OrganismStreptomyces hygroscopicus A-130
ReferenceTsuji,J. Antibiotics,33,(1980),94