3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one (CHEBI:203512)

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CHEBI:203512 - 3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one

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ChEBI ID	CHEBI:203512
ChEBI Name	3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H31NO7
Net Charge	0
Average Mass	445.512
Monoisotopic Mass	445.21005
SMILES	C[C@H]1CC[C@@H]2[C@@H](C(=O)c3c(O)c(C4(O)CCC(O)C5OC54)cn(O)c3=O)[C@@H](C)C=C[C@H]2C1
InChI	InChI=1S/C24H31NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25(31)23(18)29)24(30)8-7-16(26)21-22(24)32-21/h4-5,10-14,16-17,21-22,26-27,30-31H,3,6-9H2,1-2H3/t11-,12-,13-,14-,16?,17-,21?,22?,24?/m0/s1
InChIKey	XYUAOFMUDNWQRJ-BIABNVDZSA-N

Species of Metabolite	Component	Source	Comments
Cytosporaspecies (ncbitaxon:1715226)	-	PubMed (8784433)

ChEBI Ontology

Outgoing Relation(s)
	3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one (CHEBI:203512) is a aromatic ketone (CHEBI:76224)

IUPAC Name
3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one

Manual Xrefs	Databases
78445116	ChemSpider