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CHEBI:219474 - 1-[(7R,8R,8aR)-5-bromo-1,7,8,8a-tetrahydro-3,7-dihydroxy-8,8a-dimethylnaphthalen-2-yl]ethanone

ChEBI IDCHEBI:219474
ChEBI Name1-[(7R,8R,8aR)-5-bromo-1,7,8,8a-tetrahydro-3,7-dihydroxy-8,8a-dimethylnaphthalen-2-yl]ethanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17BrO3
Net Charge0
Average Mass313.191
Monoisotopic Mass312.03611
SMILESCC(=O)C1=C(O)C=C2C(Br)=C[C@H](O)[C@H](C)[C@@]2(C)C1
InChIInChI=1S/C14H17BrO3/c1-7-12(17)5-11(15)10-4-13(18)9(8(2)16)6-14(7,10)3/h4-5,7,12,17-18H,6H2,1-3H3/t7-,12-,14+/m0/s1
InChIKeyZVHPCVAYXRZTMY-ATMGAIRJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25044593)
ChEBI Ontology
Outgoing Relation(s)
1-[(7R,8R,8aR)-5-bromo-1,7,8,8a-tetrahydro-3,7-dihydroxy-8,8a-dimethylnaphthalen-2-yl]ethanone (CHEBI:219474) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
1-[(7R,8R,8aR)-5-bromo-3,7-dihydroxy-8,8a-dimethyl-7,8-dihydro-1H-naphthalen-2-yl]ethanone
Manual XrefsDatabases
78441171ChemSpider