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CHEBI:208765 - Gliocladine D

ChEBI IDCHEBI:208765
ChEBI NameGliocladine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O3S3
Net Charge0
Average Mass496.639
Monoisotopic Mass496.06975
SMILESCN1C(=O)[C@]23SSS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1cnc2ccccc12)[C@@H]3O
InChIInChI=1S/C23H20N4O3S3/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(27,32-33-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22+,23-/m0/s1
InChIKeyFIIJQUIYIBLWOG-PHXJMUFTSA-N
Species of MetaboliteComponentSourceComments
Clonostachys rosea (ncbitaxon:29856) - PubMed (16252916)
ChEBI Ontology
Outgoing Relation(s)
Gliocladine D (CHEBI:208765) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3R,11R,14S)-2-hydroxy-3-(1H-indol-3-yl)-14,19-dimethyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione
Manual XrefsDatabases
78441083ChemSpider