EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217414 - Ganotheaecoloid M

ChEBI IDCHEBI:217414
ChEBI NameGanotheaecoloid M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESO=C(C[C@@]1(C(=O)O)CCC[C@H](CO)[C@@H]1O)c1cc(O)ccc1O
InChIInChI=1S/C16H20O7/c17-8-9-2-1-5-16(14(9)21,15(22)23)7-13(20)11-6-10(18)3-4-12(11)19/h3-4,6,9,14,17-19,21H,1-2,5,7-8H2,(H,22,23)/t9-,14+,16+/m1/s1
InChIKeyCPNZZPJVTYYGTI-OELKAKTESA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (29378219)
ChEBI Ontology
Outgoing Relation(s)
Ganotheaecoloid M (CHEBI:217414) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2S,3R)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohexane-1-carboxylic acid