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CHEBI:208532 - Chetracin F

ChEBI IDCHEBI:208532
ChEBI NameChetracin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28N6O8S7
Net Charge0
Average Mass825.057
Monoisotopic Mass824.00136
SMILESCN1C(=O)[C@]23SSSS[C@@]1(CO)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/C30H28N6O8S7/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-49-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-51-50-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25-,26-,27+,28?,29-,30-/m0/s1
InChIKeyCZOVWCYITKRFFT-LTEJGUQOSA-N
Species of MetaboliteComponentSourceComments
Acrostalagmus (ncbitaxon:461148) - DOI (10.1039/c7ra12063j)
ChEBI Ontology
Outgoing Relation(s)
Chetracin F (CHEBI:208532) 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-(hydroxymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione
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64185950ChemSpider