input word = C00015176

Metabolite InformationStructural formula
Name Hibarimicinone
Formula C45H48O21
Mw 924.2688086
CAS RN 408493-90-3
C_ID C00015176 ,
InChIKey SSVUTDACAKUVQH-UHFFFAOYNA-N
InChICode InChI=1S/C45H48O21/c1-6-8-42(60)40(58)32(54)24(46)14-11-12-10-13-16(25(47)15(12)38(56)44(14,42)61)26(48)20(37(65-5)34(13)63-3)19-27(49)17-18(30(52)36(19)64-4)28(50)21-22(29(17)51)39(57)45(62)23-31(53)33(55)41(59)43(45,9-7-2)66-35(21)23/h10,14,23-24,31-33,35,40-41,46-48,50-51,53-55,58-62H,6-9,11H2,1-5H3/t14-,23-,24-,31+,32+,33-,35-,40-,41+,42-,43-,44+,45+/m0/s1
SMILES [C@@H]1([C@@H]([C@@]([C@]2([C@H]([C@@H]1O)Cc1c(C2=O)c(c2c(c1)c(c(c(c2O)C1=C(C(=O)c2c(C1=O)c(c1c(c2O)[C@H]2[C@H]3[C@@](C1=O)([C@]([C@@H]([C@H]([C@@H]3O)O)O)(O2)CCC)O)O)OC)OC)OC)O)O)(O)CCC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicrobispora rosea subsp. hibaria TP-A0121 blocked mutant Ref.
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