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CHEBI:205168 - Sequoiamonascin D

ChEBI IDCHEBI:205168
ChEBI NameSequoiamonascin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33NO7
Net Charge0
Average Mass471.550
Monoisotopic Mass471.22570
SMILESCCCCCC[C@@H](C)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)N(CCO)C=C3C(=O)[C@]2(C)OC1=O
InChIInChI=1S/C26H33NO7/c1-6-7-8-9-10-15(2)22(29)20-21-19(24(31)33-5)17-13-16(3)27(11-12-28)14-18(17)23(30)26(21,4)34-25(20)32/h13-15,28H,6-12H2,1-5H3/t15-,26-/m1/s1
InChIKeyDUAOHJBNXYSKOY-PVPMGCCUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (12790612)
ChEBI Ontology
Outgoing Relation(s)
Sequoiamonascin D (CHEBI:205168) is a polyketide (CHEBI:26188)
IUPAC Name 
methyl (9aR)-7-(2-hydroxyethyl)-6,9a-dimethyl-3-[(2R)-2-methyloctanoyl]-2,9-dioxouro[3,2-g]isoquinoline-4-carboxylate
Manual XrefsDatabases
9147956ChemSpider