1-(1,4,5-trihydroxy-3-isocyanocyclopenten-2-enyl)-ethanol (CHEBI:200377)

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CHEBI:200377 - 1-(1,4,5-trihydroxy-3-isocyanocyclopenten-2-enyl)-ethanol

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ChEBI ID	CHEBI:200377
ChEBI Name	1-(1,4,5-trihydroxy-3-isocyanocyclopenten-2-enyl)-ethanol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H11NO4
Net Charge	0
Average Mass	185.179
Monoisotopic Mass	185.06881
SMILES	[C-]#[N+]C1=CC(O)(C(C)O)C(O)C1O
InChI	InChI=1S/C8H11NO4/c1-4(10)8(13)3-5(9-2)6(11)7(8)12/h3-4,6-7,10-13H,1H3
InChIKey	IGGOWFZBVPRSMG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	PubMed (9268002)

ChEBI Ontology

Outgoing Relation(s)
	1-(1,4,5-trihydroxy-3-isocyanocyclopenten-2-enyl)-ethanol (CHEBI:200377) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
1-(1-hydroxyethyl)-4-isocyanocyclopent-4-ene-1,2,3-triol

Manual Xrefs	Databases
28682106	ChemSpider