CHEBI:174747 - 1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman
ChEBI ID CHEBI:174747
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H16O5
Net Charge 0
Average Mass 288.299
Monoisotopic Mass 288.09977
InChI InChI=1S/C16H16O5/c1-20-14-7-10(2-3-12(14)17)15-11-8-21-5-4-9(11)6-13(18)16(15)19/h2-3,6-7,17-19H,4-5,8H2,1H3
InChIKey NTXDKLARYKJXCA-UHFFFAOYSA-N
SMILES O1CC=2C(CC1)=CC(O)=C(O)C2C3=CC(OC)=C(O)C=C3
ChEBI Ontology
Outgoing 1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman (CHEBI:174747) is a methoxybenzenes (CHEBI:51683)
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman (CHEBI:174747) is a phenols (CHEBI:33853)
IUPAC Name
8-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol
Manual Xrefs Databases
30776769 ChemSpider
HMDB0029303 HMDB
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