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CHEBI:217717 - Eutypellazine S

ChEBI IDCHEBI:217717
ChEBI NameEutypellazine S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O4S2
Net Charge0
Average Mass416.524
Monoisotopic Mass416.08645
SMILESCS[C@@]12Cc3cccc(O)c3N1C(=O)[C@]1(SC)CC3=CC=C[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C20H20N2O4S2/c1-27-19-9-11-5-3-7-13(23)15(11)21(19)18(26)20(28-2)10-12-6-4-8-14(24)16(12)22(20)17(19)25/h3-8,13,15,23-24H,9-10H2,1-2H3/t13-,15-,19+,20+/m0/s1
InChIKeyJDGDIQGEVGMDCN-DZXDFRQDSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies (ncbitaxon:1715228) - DOI (10.1016/j.tetlet.2017.08.015)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Eutypellazine S (CHEBI:217717) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(1R,11R,14S,15S)-5,15-dihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,16,18-pentaene-2,12-dione
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62429281ChemSpider