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CHEBI:212568 - (+)-applanatumol K

ChEBI IDCHEBI:212568
ChEBI Name(+)-applanatumol K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O7
Net Charge0
Average Mass322.313
Monoisotopic Mass322.10525
SMILESC=C1[C@H](O)CC[C@](CC(=O)c2cc(O)ccc2O)(C(=O)O)[C@@H]1O
InChIInChI=1S/C16H18O7/c1-8-11(18)4-5-16(14(8)21,15(22)23)7-13(20)10-6-9(17)2-3-12(10)19/h2-3,6,11,14,17-19,21H,1,4-5,7H2,(H,22,23)/t11-,14-,16-/m1/s1
InChIKeyGZVVHHXNPRBBSD-DJSGYFEHSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol K (CHEBI:212568) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1R,2R,4R)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid
Manual XrefsDatabases
78441508ChemSpider