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CHEBI:215744 - (5S,8S,9S,12R)-20-chloro-5,9-dihydroxy-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:215744
ChEBI Name(5S,8S,9S,12R)-20-chloro-5,9-dihydroxy-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
FormulaC25H32ClNO5
Net Charge0
Average Mass461.986
Monoisotopic Mass461.19690
SMILESCO[C@@H]1C=CC=C(C)Cc2cc(Cl)cc(c2)NC(=O)C[C@H](O)C(C)=C[C@H](C)[C@@H](O)CC1=O
InChIInChI=1S/C25H32ClNO5/c1-15-6-5-7-24(32-4)23(30)13-21(28)16(2)9-17(3)22(29)14-25(31)27-20-11-18(8-15)10-19(26)12-20/h5-7,9-12,16,21-22,24,28-29H,8,13-14H2,1-4H3,(H,27,31)/t16-,21-,22-,24+/m0/s1
InChIKeyXKXGLQUYVGECRB-IDOMGHHASA-N
Species of MetaboliteComponentSourceComments
Actinosynnema pretiosum (ncbitaxon:42197) - PubMed (32484951)
ChEBI Ontology
Outgoing Relation(s)
(5S,8S,9S,12R)-20-chloro-5,9-dihydroxy-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:215744) is a azamacrocycle (CHEBI:52898)
(5S,8S,9S,12R)-20-chloro-5,9-dihydroxy-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:215744) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(5S,8S,9S,12R)-20-chloro-5,9-dihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione