CHEBI:168989 - 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one

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ChEBI Name 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
ChEBI ID CHEBI:168989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O8
Net Charge 0
Average Mass 362.334
Monoisotopic Mass 362.10017
InChI InChI=1S/C18H18O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,16,18-21H,1-3H3
InChIKey CCWSQXBMKLEALQ-UHFFFAOYSA-N
SMILES O1C(C(OC)C(=O)C2=C1C=C(O)C(OC)=C2O)C3=CC(O)=C(OC)C=C3
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 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:168989) is a ether (CHEBI:25698)
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:168989) is a flavonoids (CHEBI:72544)
IUPAC Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-2,3-dihydrochromen-4-one
Manual Xrefs Databases
74852789 ChemSpider
HMDB0130262 HMDB
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