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chemical compound

AttributesValues
rdf:type
description
  • химическое соединение (ru)
  • chemical compound (en)
  • composé chimique (fr)
  • compositum chemicum (la)
  • chemische Verbindung (de)
  • քիմիական միացություն (hy)
  • chemische verbinding (nl)
  • compuestu químicu (ast)
  • хімічна сполука (uk)
  • রাসায়নিক যৌগ (bn)
  • cheemsch Verbinnen (nds)
rdfs:label
  • QSXMBOIARCMSMY-VCAXDYOMSA-N (en)
skos:prefLabel
  • QSXMBOIARCMSMY-VCAXDYOMSA-N (en)
name
  • QSXMBOIARCMSMY-VCAXDYOMSA-N (en)
isomeric SMILES
isomeric SMILES
  • CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)[C@]89C(=O)O[C@@](C)([C@@H]%10CCC(C)(C)O%10)[C@@]8(O)CC[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O
instance of
instance of
subclass of
subclass of
found in taxon
found in taxon
UniChem compound ID
canonical SMILES
InChI
InChIKey
chemical formula
PubChem CID
PubChem CID
UniChem compound ID
  • 50603041
canonical SMILES
  • O=C1OC(C)(C2OC(C)(C)CC2)C3(O)CCC4(C)C5C(=CC(O)C134)C6(C)CCC(OC7OCC(OS(=O)(=O)O)C(O)C7OC8OC(C)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(OC)C%10O)C9O)C(O)C8O)C(C)(C)C6CC5
InChI
  • InChI=1S/C54H86O27S/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69)/t22-,23-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-/m1/s1
InChIKey
  • QSXMBOIARCMSMY-VCAXDYOMSA-N
chemical formula
  • C₅₄H₈₆O₂₇S
PubChem CID
  • 20056045
mass
mass
is about of
is main subject of
is main subject of
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