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CHEBI:5619 - Haplophytine

ChEBI IDCHEBI:5619
ChEBI NameHaplophytine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H40N4O7
Net Charge0
Average Mass652.748
Monoisotopic Mass652.28970
SMILES[H][C@@]12C=C[C@@]34CCCN5CC[C@]1(c1cc([C@@]67CCN(C)[C@]8(CCC(=O)N8c8c(O)cccc86)C7=O)c(OC)c(OC)c1N2C)[C@]53OC(=O)C4
InChIInChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35-,36+,37+/m1/s1
InChIKeySFSFAWRKKRGBKI-ZLEWMSNTSA-N
ChEBI Ontology
Outgoing Relation(s)
Haplophytine (CHEBI:5619) is a carbazoles (CHEBI:48513)
Synonym  Source
HaplophytineKEGG COMPOUND
Manual XrefsDatabases
C09208KEGG COMPOUND
C00028334KNApSAcK
Registry NumbersSources
CAS:16625-20-0KEGG COMPOUND