CHEBI:206385 - Spathullin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Spathullin A
ChEBI ID CHEBI:206385
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H11NO4
Net Charge 0
Average Mass 245.234
Monoisotopic Mass 245.06881
InChI InChI=1S/C13H11NO4/c15-11-4-1-7-5-8-2-3-10(13(17)18)14(8)6-9(7)12(11)16/h1-4,15-16H,5-6H2,(H,17,18)
InChIKey MOFOFKUUAFKEGG-UHFFFAOYSA-N
SMILES O=C(O)C=1N2C(CC=3C=CC(=C(C3C2)O)O)=CC1
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Spathullin A (CHEBI:206385) is a carboxylic acid (CHEBI:33575)
Spathullin A (CHEBI:206385) is a pyrroles (CHEBI:26455)
IUPAC Name
6,7-dihydroxy-5,10-dihydropyrrolo[1,2-b]isoquinoline-3-carboxylic acid