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CHEBI:205404 - (1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione

ChEBI IDCHEBI:205404
ChEBI Name(1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24N2O9S2
Net Charge0
Average Mass596.639
Monoisotopic Mass596.09232
SMILESCOc1ccc2cc1Oc1cc(ccc1OC)C(=O)O[C@H]1C=COC=C3[C@@H](O)[C@]45SS[C@](C2)(C(=O)N4[C@@H]31)N(C)C5=O
InChIInChI=1S/C28H24N2O9S2/c1-29-26(34)28-23(31)16-13-37-9-8-19-22(16)30(28)25(33)27(29,40-41-28)12-14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3/t19-,22-,23+,27+,28+/m0/s1
InChIKeyQVZZDKDFWLWKPS-BZERRRCQSA-N
Species of MetaboliteComponentSourceComments
Cladorrhinum (ncbitaxon:223374) - PubMed (15496109)
ChEBI Ontology
Outgoing Relation(s)
(1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione (CHEBI:205404) is a azamacrocycle (CHEBI:52898)
(1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione (CHEBI:205404) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
Manual XrefsDatabases
9448398ChemSpider