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CHEBI:201406 - Ansatrienin B

ChEBI IDCHEBI:201406
ChEBI NameAnsatrienin B
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FormulaC36H50N2O8
Net Charge0
Average Mass638.802
Monoisotopic Mass638.35672
SMILESCOC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)C(C)=CCCc2cc(O)cc(c2O)NC(=O)C1
InChIInChI=1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)
InChIKeyVVJDHJZQBGWPEQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ansatrienin B (CHEBI:201406) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5R,6Z,8Z,10Z,13S,14R,15R,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
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