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CHEBI:215762 - (5S,8S,9S,12R)-21-chloro-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione

ChEBI IDCHEBI:215762
ChEBI Name(5S,8S,9S,12R)-21-chloro-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32ClNO6
Net Charge0
Average Mass477.985
Monoisotopic Mass477.19182
SMILESCO[C@@H]1C=CC=C(C)Cc2cc(O)c(Cl)c(c2)NC(=O)C[C@H](O)C(C)=C[C@H](C)[C@@H](O)CC1=O
InChIInChI=1S/C25H32ClNO6/c1-14-6-5-7-23(33-4)21(30)12-19(28)15(2)9-16(3)20(29)13-24(32)27-18-10-17(8-14)11-22(31)25(18)26/h5-7,9-11,15,19-20,23,28-29,31H,8,12-13H2,1-4H3,(H,27,32)/t15-,19-,20-,23+/m0/s1
InChIKeyGJTIYVOPSZQHSS-RHKKYNMWSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema pretiosum (ncbitaxon:42197) - PubMed (32484951)
ChEBI Ontology
Outgoing Relation(s)
(5S,8S,9S,12R)-21-chloro-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione (CHEBI:215762) is a azamacrocycle (CHEBI:52898)
(5S,8S,9S,12R)-21-chloro-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione (CHEBI:215762) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(5S,8S,9S,12R)-21-chloro-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione