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CHEBI:224025 - Amphiepicoccin A

ChEBI IDCHEBI:224025
ChEBI NameAmphiepicoccin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14N2O5S2
Net Charge0
Average Mass402.453
Monoisotopic Mass402.03441
SMILESO=C1C[C@@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)c1cc2cc(O)ccc2n1C4=O
InChIInChI=1S/C18H14N2O5S2/c21-8-1-2-10-7(3-8)4-11-16(24)20-14-9-6-18(20,17(25)19(10)11)27-26-13(15(14)23)5-12(9)22/h1-4,9,13-15,21,23H,5-6H2/t9-,13-,14-,15-,18+/m0/s1
InChIKeyUKMJCOXENYPZIK-YZRKZCBTSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31975590)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Amphiepicoccin A (CHEBI:224025) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(1R,14S,15R,16S,19R)-7,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[14.4.2.01,13.03,11.04,9.014,19]docosa-4(9),5,7,10-tetraene-2,12,18-trione