EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201958 - Water-soluble monascus pigment 7

ChEBI IDCHEBI:201958
ChEBI NameWater-soluble monascus pigment 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO8
Net Charge0
Average Mass511.571
Monoisotopic Mass511.22062
SMILESC/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)OC3(C)C(=O)C2=CN1C(CCC(=O)O)C(=O)O
InChIInChI=1S/C28H33NO8/c1-4-6-7-8-9-11-22(30)24-20-15-17-14-18(10-5-2)29(21(26(34)35)12-13-23(31)32)16-19(17)25(33)28(20,3)37-27(24)36/h5,10,14-16,21H,4,6-9,11-13H2,1-3H3,(H,31,32)(H,34,35)/b10-5+
InChIKeyWUAIFCBBVBFFFG-BJMVGYQFSA-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:201958) is a polyketide (CHEBI:26188)
IUPAC Name 
2-[9a-methyl-3-octanoyl-2,9-dioxo-6-[(E)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]pentanedioic acid
Manual XrefsDatabases
23550750ChemSpider