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CHEBI:206309 - Nigriterpene E

ChEBI IDCHEBI:206309
ChEBI NameNigriterpene E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC=C(C=O)[C@@H]1C[C@@]2(C)C(=C[C@H]1O)CCC[C@@H]2C
InChIInChI=1S/C15H22O2/c1-10(9-16)13-8-15(3)11(2)5-4-6-12(15)7-14(13)17/h7,9,11,13-14,17H,1,4-6,8H2,2-3H3/t11-,13-,14+,15+/m0/s1
InChIKeyWXHOVSPTBDPGDA-SPWCGHHHSA-N
Species of MetaboliteComponentSourceComments
Xylaria nigripes (ncbitaxon:490159) - PubMed (28055210)
ChEBI Ontology
Outgoing Relation(s)
Nigriterpene E (CHEBI:206309) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2S,3R,8S,8aR)-3-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enal
Manual XrefsDatabases
76803108ChemSpider