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CHEBI:192995 - (2R,3S,11R)-N-acetyl-aszonalenin zwitterion

ChEBI IDCHEBI:192995
ChEBI Name(2R,3S,11R)-N-acetyl-aszonalenin zwitterion
Stars
ASCII Name(2R,3S,11R)-N-acetyl-aszonalenin zwitterion
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC25H25N3O3
Net Charge0
Average Mass415.493
Monoisotopic Mass415.18959
SMILES[H][C@]12N(C(C)=O)c3ccccc3[C@@]1(C(C)(C)C=C)C[C@]1([H])C([O-])=[NH+]c3ccccc3C(=O)N21
InChIInChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m1/s1
InChIKeyTXNJQKDZOVFCAQ-XRODADMRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,11R)-N-acetyl-aszonalenin zwitterion (CHEBI:192995) is a zwitterion (CHEBI:27369)