CHEBI:5601 - (+)-haematoxylin

ChEBI IDCHEBI:5601
ChEBI Name(+)-haematoxylin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H14O6
Net Charge0
Average Mass302.282
Monoisotopic Mass302.07904
SMILES[H][C@]12c3cc(O)c(O)cc3C[C@@]1(O)COc1c2ccc(O)c1O
InChIInChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1
InChIKeyWZUVPPKBWHMQCE-XJKSGUPXSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
(+)-haematoxylin (CHEBI:5601) is a haematoxylin (CHEBI:51686)
(+)-haematoxylin (CHEBI:5601) is enantiomer of (−)-haematoxylin (CHEBI:51684)
Incoming Relation(s)
(−)-haematoxylin (CHEBI:51684) is enantiomer of (+)-haematoxylin (CHEBI:5601)
IUPAC Name 
(6aS,11bR)-7,11b-dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6H)-pentol
Synonyms  Source
HaematoxylinKEGG COMPOUND
(+)-hematoxylinChemIDplus
(6aS,11bR)-7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentolChemIDplus
cis-(+)-7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentolChemIDplus
hydroxybrasilinChemIDplus
hydroxybrazilinChemIDplus
Manual XrefsDatabases
C09931KEGG COMPOUND
C00002993KNApSAcK
Registry NumbersSources
Beilstein:1688573Beilstein
CAS:517-28-2KEGG COMPOUND
CAS:517-28-2ChemIDplus