Phomaligin A (CHEBI:220971)

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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	Phomaligin A

ChEBI ID	CHEBI:220971

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H25NO5

Net Charge

Average Mass

311.378

Monoisotopic Mass

311.17327

InChI

InChI=1S/C16H25NO5/c1-6-9(2)12(19)11-13(22-5)10(3)15(20)16(4,21)14(11)17-7-8-18/h9,17-18,21H,6-8H2,1-5H3/t9-,16-/m0/s1

InChIKey

QEUPBBFRRMXJEC-FVMDXXJSSA-N

SMILES

O=C1C(=C(OC)C(C(=O)[C@H](CC)C)=C([C@@]1(O)C)NCCO)C

Metabolite of Species	Details
Plenodomus lingam (NCBI:txid5022)	See: DOI

ChEBI Ontology
Outgoing	Phomaligin A (CHEBI:220971) is a secondary α-hydroxy ketone (CHEBI:2468)

IUPAC Name

(6S)-6-hydroxy-5-(2-hydroxyethylamino)-3-methoxy-2,6-dimethyl-4-[(2S)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one