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CHEBI:199698 - 2,3,4,5-tetrahydro-2,7-dihydroxy-5,8,10,10-tetramethyl-2,5-methano-1-benzoxepin

ChEBI IDCHEBI:199698
ChEBI Name2,3,4,5-tetrahydro-2,7-dihydroxy-5,8,10,10-tetramethyl-2,5-methano-1-benzoxepin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCc1cc2c(cc1O)[C@@]1(C)CC[C@@](O)(O2)C1(C)C
InChIInChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3/t14-,15-/m1/s1
InChIKeyKANVQRLDTGOSBL-HUUCEWRRSA-N
Species of MetaboliteComponentSourceComments
Flammulina velutipes (ncbitaxon:38945) - DOI (10.1016/s0031-9422(00)00189-8)
ChEBI Ontology
Outgoing Relation(s)
2,3,4,5-tetrahydro-2,7-dihydroxy-5,8,10,10-tetramethyl-2,5-methano-1-benzoxepin (CHEBI:199698) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
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8975886ChemSpider