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CHEBI:201005 - Berkchaetorubramine

ChEBI IDCHEBI:201005
ChEBI NameBerkchaetorubramine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO6
Net Charge0
Average Mass471.594
Monoisotopic Mass471.26209
SMILESCCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O
InChIInChI=1S/C27H37NO6/c1-4-5-6-7-8-9-10-11-23(31)24-22-16-19-15-20(14-18(2)30)28(12-13-29)17-21(19)25(32)27(22,3)34-26(24)33/h15-18,29-30H,4-14H2,1-3H3/t18-,27+/m0/s1
InChIKeyLCKNTKXGESXWHN-XRHLQHRESA-N
Species of MetaboliteComponentSourceComments
Pleurostomaspecies (ncbitaxon:2173843) - PubMed (26641525)
ChEBI Ontology
Outgoing Relation(s)
Berkchaetorubramine (CHEBI:201005) is a polyketide (CHEBI:26188)
IUPAC Name 
(9aR)-3-decanoyl-7-(2-hydroxyethyl)-6-[(2S)-2-hydroxypropyl]-9a-methyluro[3,2-g]isoquinoline-2,9-dione
Manual XrefsDatabases
58911953ChemSpider