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CHEBI:225469 - (+)-applanatumol H

ChEBI IDCHEBI:225469
ChEBI Name(+)-applanatumol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O7
Net Charge0
Average Mass322.313
Monoisotopic Mass322.10525
SMILESO=C(C[C@]12CC[C@@H](O)[C@@]1(CO)COC2=O)c1cc(O)ccc1O
InChIInChI=1S/C16H18O7/c17-7-16-8-23-14(22)15(16,4-3-13(16)21)6-12(20)10-5-9(18)1-2-11(10)19/h1-2,5,13,17-19,21H,3-4,6-8H2/t13-,15+,16-/m1/s1
InChIKeyVPMBQAULVONHEM-VNQPRFMTSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol H (CHEBI:225469) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3aR,6R,6aS)-3a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-hydroxy-6a-(hydroxymethyl)-1,4,5,6-tetrahydrocyclopenta[c]uran-3-one
Manual XrefsDatabases
78441429ChemSpider