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CHEBI:201954 - 7-(2-hydroxyethyl)-monascorubramine

ChEBI IDCHEBI:201954
ChEBI Name7-(2-hydroxyethyl)-monascorubramine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO5
Net Charge0
Average Mass425.525
Monoisotopic Mass425.22022
SMILESC/C=C\C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@]3(C)C(=O)C2=CN1CCO
InChIInChI=1S/C25H31NO5/c1-4-6-7-8-9-11-21(28)22-20-15-17-14-18(10-5-2)26(12-13-27)16-19(17)23(29)25(20,3)31-24(22)30/h5,10,14-16,27H,4,6-9,11-13H2,1-3H3/b10-5-/t25-/m0/s1
InChIKeyNNVANSMEQBWXHJ-UOFFNIIQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1263/jbb.91.44)
ChEBI Ontology
Outgoing Relation(s)
7-(2-hydroxyethyl)-monascorubramine (CHEBI:201954) is a polyketide (CHEBI:26188)
IUPAC Name 
7-(2-hydroxyethyl)-9a-methyl-3-octanoyl-6-[(Z)-prop-1-enyl]uro[3,2-g]isoquinoline-2,9-dione
Manual XrefsDatabases
78434708ChemSpider