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CHEBI:205452 - (1R,3S,9S,23S,24R)-23-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:205452
ChEBI Name(1R,3S,9S,23S,24R)-23-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@H](O)[C@@]13SS[C@]4(CC5=COC=C[C@H](OC2=O)[C@H]5N4C1=O)C(=O)N3C
InChIInChI=1S/C28H24N2O9S2/c1-29-25(33)27-12-16-13-37-9-8-19-22(16)30(27)26(34)28(29,41-40-27)23(31)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
InChIKeyDXKCEUGOBOSHKR-SMUSWYTQSA-N
Species of MetaboliteComponentSourceComments
Cladorrhinum (ncbitaxon:223374) - PubMed (15496109)
ChEBI Ontology
Outgoing Relation(s)
(1R,3S,9S,23S,24R)-23-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:205452) is a azamacrocycle (CHEBI:52898)
(1R,3S,9S,23S,24R)-23-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:205452) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1R,3S,9S,23S,24R)-23-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
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9619609ChemSpider