EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168187 - {6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acid

ChEBI IDCHEBI:168187
ChEBI Name{6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8S
Net Charge0
Average Mass366.347
Monoisotopic Mass366.04094
SMILESCOc1c(/C=C\C(=O)c2cccc(O)c2)ccc(O)c1OS(=O)(=O)O
InChIInChI=1S/C16H14O8S/c1-23-15-10(6-8-14(19)16(15)24-25(20,21)22)5-7-13(18)11-3-2-4-12(17)9-11/h2-9,17,19H,1H3,(H,20,21,22)/b7-5-
InChIKeyQNHSBLWAJLULOQ-ALCCZGGFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
{6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acid (CHEBI:168187) is a chalcones (CHEBI:23086)
IUPAC Name 
[6-hydroxy-3-[(Z)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] hydrogen sulate