CHEBI:173259 - Sphaerosin

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ChEBI Name Sphaerosin
ChEBI ID CHEBI:173259
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H18O5
Net Charge 0
Average Mass 302.326
Monoisotopic Mass 302.11542
InChI InChI=1S/C17H18O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
InChIKey HHNUTZFOMIAQMX-UHFFFAOYSA-N
SMILES O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C(OC)=C(O)C=C3
ChEBI Ontology
Outgoing Sphaerosin (CHEBI:173259) is a ether (CHEBI:25698)
Sphaerosin (CHEBI:173259) is a flavonoids (CHEBI:72544)
IUPAC Name
3-(4-hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual Xrefs Databases
153700 ChemSpider
HMDB0038128 HMDB
LMPK12080034 LIPID MAPS
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Registry Number Type Source
27973-50-8 CAS Registry Number ChemIDplus