(S)-Neomammein (CHEBI:174953)

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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	(S)-Neomammein

ChEBI ID	CHEBI:174953

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H28O5

Net Charge

Average Mass

372.461

Monoisotopic Mass

372.19367

InChI

InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3

InChIKey

FSOGIJPGPZWNGO-UHFFFAOYSA-N

SMILES

O1C2=C(C(CCC)=CC1=O)C(O)=C(C(O)=C2C(=O)C(CC)C)CC=C(C)C

ChEBI Ontology
Outgoing	(S)-Neomammein (CHEBI:174953) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

5,7-dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propylchromen-2-one