Dibetaeminin A (CHEBI:227386)

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CHEBI:227386 - Dibetaeminin A

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ChEBI ID	CHEBI:227386
ChEBI Name	Dibetaeminin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H22O4
Net Charge	0
Average Mass	242.315
Monoisotopic Mass	242.15181
SMILES	C[C@H]1[C@H]2[C@H](OC[C@@H]2C(=O)[C@@H](C)[C@@H](C)O)O[C@H]1C
InChI	InChI=1S/C13H22O4/c1-6(8(3)14)12(15)10-5-16-13-11(10)7(2)9(4)17-13/h6-11,13-14H,5H2,1-4H3/t6-,7+,8+,9-,10-,11+,13+/m0/s1
InChIKey	UXJIQWCHCFRCDF-FJIPNFSISA-N

Species of Metabolite	Component	Source	Comments
Pestalotiopsis (ncbitaxon:37840)	-	PubMed (26641923)

ChEBI Ontology

Outgoing Relation(s)
	Dibetaeminin A (CHEBI:227386) is a furofuran (CHEBI:47790)

IUPAC Name
(2S,3R)-1-[(3R,3aR,4S,5S,6aR)-4,5-dimethyl-2,3,3a,4,5,6a-hexahydrouro[2,3-b]uran-3-yl]-3-hydroxy-2-methylbutan-1-one

Manual Xrefs	Databases
58928514	ChemSpider