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CHEBI:213990 - Sch 52901

ChEBI IDCHEBI:213990
ChEBI NameSch 52901
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30N6O6S4
Net Charge0
Average Mass710.885
Monoisotopic Mass710.11097
SMILESCC[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)C1([C@@]45c6ccccc6N[C@@H]4N4C(=O)[C@]6(C)SS[C@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O
InChIInChI=1S/C31H30N6O6S4/c1-5-27-23(41)37-21-29(15-11-7-9-13-17(15)33-21,19(39)31(37,47-45-27)25(43)35(27)4)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(3)24(42)30(36,18(28)38)46-44-26/h6-13,18-21,32-33,38-39H,5H2,1-4H3/t18-,19-,20+,21+,26-,27-,28+,29?,30-,31-/m0/s1
InChIKeyBNGCIRYZSMUYSN-SEBWMANBSA-N
Species of MetaboliteComponentSourceComments
Gliocladium (ncbitaxon:62887) - PubMed (8557601)
ChEBI Ontology
Outgoing Relation(s)
Sch 52901 (CHEBI:213990) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3S,11R,14S)-3-[(1S,2S,3S,11R,14S)-14-ethyl-2-hydroxy-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-2-hydroxy-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
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