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CHEBI:204105 - (1R,3S,9S,23S,24R,33R)-23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.11,4.12,24.112,16.118,22.03,9]tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione
| Formula | C28H24N2O10S3 |
| Net Charge | 0 |
| Average Mass | 644.705 |
| Monoisotopic Mass | 644.05931 |
| SMILES | COc1ccc2cc1Oc1cc(ccc1OC)[C@H](O)[C@]13SSS[C@@]4(C(=O)N1C)[C@H](O)C1=COC=C[C@H](OC2=O)[C@H]1N4C3=O |
| InChI | InChI=1S/C28H24N2O10S3/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-43-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3/t18-,21-,22-,23+,27+,28+/m0/s1 |
| InChIKey | MEOWQXLCYBXMOB-KCEIGVIJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cladorrhinum (ncbitaxon:223374) | - | PubMed (15496109) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,3S,9S,23S,24R,33R)-23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.11,4.12,24.112,16.118,22.03,9]tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione (CHEBI:204105) is a azamacrocycle (CHEBI:52898) |
| (1R,3S,9S,23S,24R,33R)-23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.11,4.12,24.112,16.118,22.03,9]tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione (CHEBI:204105) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| (1R,3S,9S,23S,24R,33R)-23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.11,4.12,24.112,16.118,22.03,9]tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione |
| Manual Xrefs | Databases |
|---|---|
| 9597224 | ChemSpider |