Safficinolide (CHEBI:174648)

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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	Safficinolide

ChEBI ID	CHEBI:174648

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O5

Net Charge

Average Mass

344.407

Monoisotopic Mass

344.16237

InChI

InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)14-16(15(13)23)25-18(24)17-19(3,4)6-5-7-20(14,17)10-22/h8-11,17,23H,5-7H2,1-4H3

InChIKey

VBEKTSBYXBBXEO-UHFFFAOYSA-N

SMILES

O1C(=O)C2C(CCCC2(C3=C1C(O)=C(C=C3C=O)C(C)C)C=O)(C)C

ChEBI Ontology
Outgoing	Safficinolide (CHEBI:174648) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

4-hydroxy-7,7-dimethyl-6-oxo-3-propan-2-yl-6a,8,9,10-tetrahydrobenzo[c]chromene-1,10a-dicarbaldehyde