Sescandelin B (CHEBI:201887)

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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	Sescandelin B

ChEBI ID	CHEBI:201887

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H10O5

Net Charge

Average Mass

222.196

Monoisotopic Mass

222.05282

InChI

InChI=1S/C11H10O5/c1-5-8(4-12)7-2-6(13)3-9(14)10(7)11(15)16-5/h2-3,12-14H,4H2,1H3

InChIKey

SIGBMSMENCGPQO-UHFFFAOYSA-N

SMILES

O=C1OC(=C(CO)C=2C1=C(O)C=C(O)C2)C

ChEBI Ontology
Outgoing	Sescandelin B (CHEBI:201887) is a isocoumarins (CHEBI:38758)

IUPAC Name

6,8-dihydroxy-4-(hydroxymethyl)-3-methylisochromen-1-one