CHEBI:197153 - 6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:197153
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O9
Net Charge 0
Average Mass 340.284
Monoisotopic Mass 340.07943
InChI InChI=1S/C15H16O9/c16-9(17)5-4-7-2-1-3-8(6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b5-4+
InChIKey XPCHMFOWDFTFNV-SNAWJCMRSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=C(C=CC2)/C=C/C(O)=O)C(O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing 6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:197153) is a glycoside (CHEBI:24400)
IUPAC Name
6-[3-[(E)-2-carboxyethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid