EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206474 - Water-soluble monascus-pigment 7

ChEBI IDCHEBI:206474
ChEBI NameWater-soluble monascus-pigment 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO8
Net Charge0
Average Mass483.517
Monoisotopic Mass483.18932
SMILESC/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)OC3(C)C(=O)C2=CN1C(CCC(=O)O)C(=O)O
InChIInChI=1S/C26H29NO8/c1-4-6-7-9-20(28)22-18-13-15-12-16(8-5-2)27(19(24(32)33)10-11-21(29)30)14-17(15)23(31)26(18,3)35-25(22)34/h5,8,12-14,19H,4,6-7,9-11H2,1-3H3,(H,29,30)(H,32,33)/b8-5+
InChIKeyXBUWNEMZEWOHAM-VMPITWQZSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - DOI (10.1111/j.1365-2621.1994.tb08145.x)
ChEBI Ontology
Outgoing Relation(s)
Water-soluble monascus-pigment 7 (CHEBI:206474) has functional parent α-amino acid (CHEBI:33704)
Water-soluble monascus-pigment 7 (CHEBI:206474) is a organonitrogen compound (CHEBI:35352)
Water-soluble monascus-pigment 7 (CHEBI:206474) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-[(E)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]pentanedioic acid
Manual XrefsDatabases
78435401ChemSpider