CHEBI:206474 - Water-soluble monascus-pigment 7

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Water-soluble monascus-pigment 7
ChEBI ID CHEBI:206474
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H29NO8
Net Charge 0
Average Mass 483.517
Monoisotopic Mass 483.18932
InChI InChI=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+
InChIKey XBUWNEMZEWOHAM-VMPITWQZSA-N
SMILES O=C1C=2C(C=C(/C=C/C)N(C2)C(C(=O)O)CCC(=O)O)=CC=3C1(OC(=O)C3C(=O)CCCCC)C
Metabolite of Species Details
Monascus purpureus (NCBI:txid5098) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78435401 ChemSpider
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