13-(S)-hydroxy-N-(O-methyl)septoriamycin A (CHEBI:198024)

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CHEBI:198024 - 13-(S)-hydroxy-N-(O-methyl)septoriamycin A

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ChEBI ID	CHEBI:198024
ChEBI Name	13-(S)-hydroxy-N-(O-methyl)septoriamycin A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C23H31NO5
Net Charge	0
Average Mass	401.503
Monoisotopic Mass	401.22022
SMILES	COn1cc(-c2ccccc2)c(O)c([C@@H]2O[C@H]([C@H](C)[C@H](C)O)[C@@H](C)C[C@H]2C)c1=O
InChI	InChI=1S/C23H31NO5/c1-13-11-14(2)22(29-21(13)15(3)16(4)25)19-20(26)18(12-24(28-5)23(19)27)17-9-7-6-8-10-17/h6-10,12-16,21-22,25-26H,11H2,1-5H3/t13-,14+,15+,16-,21-,22+/m0/s1
InChIKey	SHGAESAOOZYSHY-FNUUGWLLSA-N

Species of Metabolite	Component	Source	Comments
Septoria (ncbitaxon:39702)	-	PubMed (22530813)

ChEBI Ontology

Outgoing Relation(s)
	13-(S)-hydroxy-N-(O-methyl)septoriamycin A (CHEBI:198024) is a phenylpyridine (CHEBI:38193)

IUPAC Name
4-hydroxy-3-[(2R,3R,5S,6S)-6-[(2R,3S)-3-hydroxybutan-2-yl]-3,5-dimethyloxan-2-yl]-1-methoxy-5-phenylpyridin-2-one

Manual Xrefs	Databases
78442450	ChemSpider