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CHEBI:5741 - Hodgkinsine

ChEBI IDCHEBI:5741
ChEBI NameHodgkinsine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H38N6
Net Charge0
Average Mass518.709
Monoisotopic Mass518.31580
SMILES[H][C@@]12Nc3ccccc3[C@]1([C@]13CCN(C)[C@@]1([H])Nc1c([C@]45CCN(C)[C@@]4([H])Nc4ccccc45)cccc13)CCN2C
InChIInChI=1S/C33H38N6/c1-37-18-15-31(21-9-4-6-13-25(21)34-28(31)37)23-11-8-12-24-27(23)36-30-33(24,17-20-39(30)3)32-16-19-38(2)29(32)35-26-14-7-5-10-22(26)32/h4-14,28-30,34-36H,15-20H2,1-3H3/t28-,29+,30-,31-,32-,33+/m1/s1
InChIKeyDPVWJPVYOXKFRQ-BDMNMGLZSA-N
ChEBI Ontology
Outgoing Relation(s)
Hodgkinsine (CHEBI:5741) is a pyrroloindole (CHEBI:48133)
Synonym  Source
HodgkinsineKEGG COMPOUND
Manual XrefsDatabases
C09211KEGG COMPOUND
C00001738KNApSAcK
Registry NumbersSources
CAS:18210-71-4KEGG COMPOUND