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CHEBI:200502 - Glioclatine

ChEBI IDCHEBI:200502
ChEBI NameGlioclatine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O2S2
Net Charge0
Average Mass448.573
Monoisotopic Mass448.10277
SMILESCN1C(=O)[C@@]23C[C@]4(c5cnc6ccccc56)c5ccccc5N[C@@H]4N2C(=O)[C@]1(C)SS3
InChIInChI=1S/C23H20N4O2S2/c1-21-19(28)27-18-22(14-8-4-6-10-17(14)25-18,12-23(27,31-30-21)20(29)26(21)2)15-11-24-16-9-5-3-7-13(15)16/h3-11,18,24-25H,12H2,1-2H3/t18-,21+,22-,23+/m1/s1
InChIKeyCQRSARRFRQOYOG-MSYGRNIXSA-N
Species of MetaboliteComponentSourceComments
Gliocladium (ncbitaxon:62887) - DOI (10.5281/zenodo.3541182)
ChEBI Ontology
Outgoing Relation(s)
Glioclatine (CHEBI:200502) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,3S,11R,14S)-3-(1H-indol-3-yl)-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione