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CHEBI:5617 - Haplodimerine

ChEBI IDCHEBI:5617
ChEBI NameHaplodimerine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H26N2O6
Net Charge0
Average Mass486.524
Monoisotopic Mass486.17909
SMILES[H][C@@]12Oc3nc4c(OC)c(OC)ccc4c(OC)c3[C@]1([H])[C@]1([H])c3c(c4ccccc4nc3=O)OC(C)(C)[C@]21[H]
InChIInChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1
InChIKeyZTSCGHFGGQONGE-XHFAZCCNSA-N
ChEBI Ontology
Outgoing Relation(s)
Haplodimerine (CHEBI:5617) is a organic heterotricyclic compound (CHEBI:26979)
Haplodimerine (CHEBI:5617) is a organonitrogen heterocyclic compound (CHEBI:38101)
Haplodimerine (CHEBI:5617) is a oxacycle (CHEBI:38104)
Synonym  Source
HaplodimerineKEGG COMPOUND
Manual XrefsDatabases
C10691KEGG COMPOUND
C00002170KNApSAcK
Registry NumbersSources
CAS:120931-43-3KEGG COMPOUND