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CHEBI:208527 - Chetracin E

ChEBI IDCHEBI:208527
ChEBI NameChetracin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28N6O7S6
Net Charge0
Average Mass776.991
Monoisotopic Mass776.03437
SMILESCN1C(=O)[C@]23SSS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2C1([C@@]12c4ccccc4N[C@@H]1N1C(=O)[C@]4(CO)SSS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O
InChIInChI=1S/C30H28N6O7S6/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-48-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-49-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18-,19+,20+,25-,26-,27?,28+,29-,30-/m0/s1
InChIKeyLTWUOOAIEQIKJJ-DVVXIOMLSA-N
Species of MetaboliteComponentSourceComments
Acrostalagmus (ncbitaxon:461148) - DOI (10.1039/c7ra12063j)
ChEBI Ontology
Outgoing Relation(s)
Chetracin E (CHEBI:208527) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3S,11R,14S)-2-hydroxy-3-[(1S,2S,3S,11R,14S)-2-hydroxy-14-(hydroxymethyl)-19-methyl-13,18-dioxo-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-trien-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
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64185949ChemSpider