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CHEBI:2927 - Auricularine

ChEBI IDCHEBI:2927
ChEBI NameAuricularine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H42N4
Net Charge0
Average Mass494.727
Monoisotopic Mass494.34095
SMILES[H][C@]12C=C(C)CC(C)(C)[C@]1([H])[C@@]([H])(c1nc3ccccc3c1CCN(C)C)[C@]13CCN(C)[C@]21Nc1ccccc13
InChIInChI=1S/C33H42N4/c1-21-19-25-28(31(2,3)20-21)29(30-23(15-17-36(4)5)22-11-7-9-13-26(22)34-30)32-16-18-37(6)33(25,32)35-27-14-10-8-12-24(27)32/h7-14,19,25,28-29,34-35H,15-18,20H2,1-6H3/t25-,28-,29-,32+,33+/m0/s1
InChIKeyRTHNIWHULJBNTJ-BXFVMDGOSA-N
ChEBI Ontology
Outgoing Relation(s)
Auricularine (CHEBI:2927) is a pyrroloindole (CHEBI:48133)
Synonym  Source
AuricularineKEGG COMPOUND
Manual XrefsDatabases
C09043KEGG COMPOUND
Registry NumbersSources
CAS:73706-32-8KEGG COMPOUND