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 COC(C[C@@H]1C(C)=CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@H](O)[C@@H](OC3O[C@@H](C)C(OC(=O)c4cccc(O)c4)[C@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4NC(C)=O)[C@H]3O)C[C@@]21C)[C@H](N)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia brasiliensis IFM 0406 Ref.
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OrganismNocardia brasiliensis IFM 0406
ReferenceKomaki,J.Antibiotics 52,(1999),13