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CHEBI:206285 - Nigriterpene A

ChEBI IDCHEBI:206285
ChEBI NameNigriterpene A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCC1=C2[C@@H](C=C3CCC[C@H](C)[C@@]3(C)[C@H]2O)OC1=O
InChIInChI=1S/C15H20O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h7-8,11,13,16H,4-6H2,1-3H3/t8-,11+,13-,15+/m0/s1
InChIKeyXGWYTVVEGPJXCK-XHFWKOTNSA-N
Species of MetaboliteComponentSourceComments
Xylaria nigripes (ncbitaxon:490159) - PubMed (28055210)
ChEBI Ontology
Outgoing Relation(s)
Nigriterpene A (CHEBI:206285) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(4R,4aR,5S,9aR)-4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9a-hexahydrobenzo[][1]benzouran-2-one
Manual XrefsDatabases
76783609ChemSpider