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

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ChEBI Name {6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acid
ChEBI ID CHEBI:168187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H14O8S
Net Charge 0
Average Mass 366.340
Monoisotopic Mass 366.04094
InChI InChI=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-
InChIKey QNHSBLWAJLULOQ-ALCCZGGFSA-N
SMILES S(OC=1C(OC)=C(C=CC1O)/C=C\C(=O)C2=CC(O)=CC=C2)(O)(=O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing {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