input word = C00018386

Metabolite InformationStructural formula
Name Cationomycin
Formula C45H70O15
Mw 850.47147157
CAS RN 80394-65-6
C_ID C00018386 ,
InChIKey TZXAYLJEVNVSIA-FNQRNAQLNA-N
InChICode InChI=1S/C45H70O15/c1-13-31(48)42(8)20-24(4)35(58-42)30-17-23(3)37(55-30)44(10)33(54-12)19-32(57-44)41(7)14-15-45(60-41)21-29(47)25(5)36(59-45)26(6)38(43(9,52)40(50)51)56-39(49)34-22(2)16-27(53-11)18-28(34)46/h16,18,23-26,29-33,35-38,46-48,52H,13-15,17,19-21H2,1-12H3,(H,50,51)/t23-,24-,25+,26+,29-,30+,31+,32+,33-,35-,36-,37+,38+,41-,42-,43+,44-,45+/m0/s1
SMILES c1(c(cc(cc1O)OC)C)C(=O)O[C@@H]([C@](C(=O)O)(O)C)[C@@H]([C@H]1O[C@]2(C[C@@H]([C@H]1C)O)CC[C@](O2)([C@@H]1O[C@@]([C@H](C1)OC)([C@H]1[C@H](C[C@@H](O1)[C@H]1O[C@@](C[C@@H]1C)([C@H](O)CC)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura aurea nov. sp. Ref.
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