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CHEBI:210040 - Sch 52900

ChEBI IDCHEBI:210040
ChEBI NameSch 52900
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30N6O7S4
Net Charge0
Average Mass726.884
Monoisotopic Mass726.10588
SMILESCC(O)[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/C31H30N6O7S4/c1-13(38)29-25(44)37-21-28(15-10-6-8-12-17(15)33-21,19(40)31(37,48-46-29)24(43)35(29)4)27-14-9-5-7-11-16(14)32-20(27)36-22(41)26(2)34(3)23(42)30(36,18(27)39)47-45-26/h5-13,18-21,32-33,38-40H,1-4H3/t13?,18-,19-,20+,21+,26-,27+,28?,29-,30-,31-/m0/s1
InChIKeyPRYIVLXRWBBBJH-GTGKPILSSA-N
Species of MetaboliteComponentSourceComments
Gliocladium (ncbitaxon:62887) - PubMed (8557601)
ChEBI Ontology
Outgoing Relation(s)
Sch 52900 (CHEBI:210040) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3S,11R,14S)-2-hydroxy-3-[(1S,2S,3S,11R,14S)-2-hydroxy-14-(1-hydroxyethyl)-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]-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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8756145ChemSpider