input word = C00016130

Metabolite InformationStructural formula
Name 0406TP1
Brasilicardin A
Formula C45H68N2O16
Mw 892.45688414
CAS RN 211108-46-2
C_ID C00016130 ,
InChIKey SAZHWKBRJJLWKC-ZZJNLXDXNA-N
InChICode InChI=1S/C45H68N2O16/c1-20-12-13-30-44(6,25(20)17-26(58-8)31(46)39(55)56)15-14-29-43(4,5)38(54)27(18-45(29,30)7)60-42-35(53)37(36(21(2)59-42)62-40(57)23-10-9-11-24(50)16-23)63-41-32(47-22(3)49)34(52)33(51)28(19-48)61-41/h9-12,16,21,25-38,41-42,48,50-54H,13-15,17-19,46H2,1-8H3,(H,47,49)(H,55,56)/t21-,25+,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+,36-,37+,38+,41-,42-,44-,45+/m0/s1
SMILES C1=C([C@H]([C@]2([C@@H](C1)[C@]1([C@H](CC2)C([C@@H]([C@H](C1)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)NC(=O)C)OC(=O)c1cccc(c1)O)C)O)(C)C)C)C)C[C@H]([C@@H](C(=O)O)N)OC)C
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia brasiliensis IFM 0406 Ref.
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