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CHEBI:200113 - Gliocladine C

Default Structure
ChEBI IDCHEBI:200113
ChEBI NameGliocladine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O3S2
Net Charge0
Average Mass464.572
Monoisotopic Mass464.09768
SMILESCN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1cnc2ccccc12)[C@@H]3O
InChIInChI=1S/C23H20N4O3S2/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22+,23-/m0/s1
InChIKeyMRBZKCMQZBKXMZ-PHXJMUFTSA-N
Species of MetaboliteComponentSourceComments
Clonostachys rosea (ncbitaxon:29856) - PubMed (16252916)
ChEBI Ontology
Outgoing Relation(s)
Gliocladine C (CHEBI:200113) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3R,11R,14S)-2-hydroxy-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
Manual XrefsDatabases
32679410ChemSpider