Nigrospin A (CHEBI:213305)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213305 - Nigrospin A

Take structure to advanced search

ChEBI ID	CHEBI:213305
ChEBI Name	Nigrospin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H15NO5
Net Charge	0
Average Mass	277.276
Monoisotopic Mass	277.09502
SMILES	CC1(C)Oc2ccc3c(C(=O)O)cnc3c2[C@H](O)[C@H]1O
InChI	InChI=1S/C14H15NO5/c1-14(2)12(17)11(16)9-8(20-14)4-3-6-7(13(18)19)5-15-10(6)9/h3-5,11-12,15-17H,1-2H3,(H,18,19)/t11-,12+/m0/s1
InChIKey	LGDYFFQYPZQWFT-NWDGAFQWSA-N

Species of Metabolite	Component	Source	Comments
Nigrospora (ncbitaxon:114230)	-	DOI (10.1016/j.tetlet.2014.03.060)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Nigrospin A (CHEBI:213305) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
(8R,9S)-8,9-dihydroxy-7,7-dimethyl-8,9-dihydro-1H-pyrano[2,3-g]indole-3-carboxylic acid

Manual Xrefs	Databases
32675108	ChemSpider