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CHEBI:206292 - Nigriterpene B

ChEBI IDCHEBI:206292
ChEBI NameNigriterpene B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESCC1=C2[C@@H](C=C3C=CC[C@H](C)[C@@]3(C)[C@H]2O)OC1=O
InChIInChI=1S/C15H18O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h4,6-8,11,13,16H,5H2,1-3H3/t8-,11+,13-,15+/m0/s1
InChIKeyREDCHDCEWXJRTR-XHFWKOTNSA-N
Species of MetaboliteComponentSourceComments
Xylaria nigripes (ncbitaxon:490159) - PubMed (28055210)
ChEBI Ontology
Outgoing Relation(s)
Nigriterpene B (CHEBI:206292) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(4R,4aR,5S,9aR)-4-hydroxy-3,4a,5-trimethyl-4,5,6,9a-tetrahydrobenzo[][1]benzouran-2-one
Manual XrefsDatabases
76792593ChemSpider