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CHEBI:217916 - Cardinalin-6

ChEBI IDCHEBI:217916
ChEBI NameCardinalin-6
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H26O10
Net Charge0
Average Mass558.539
Monoisotopic Mass558.15260
SMILESCOc1cc2c(=O)c3c(c(=O)c2c2oc4c(=O)c5c(O)c6c(c(O)c5c(=O)c4c12)[C@@H](C)O[C@@H](C)C6)[C@@H](C)O[C@@H](C)C3
InChIInChI=1S/C31H26O10/c1-9-6-13-17(11(3)39-9)26(34)19-15(24(13)32)8-16(38-5)20-23-28(36)22-21(29(37)31(23)41-30(19)20)25(33)14-7-10(2)40-12(4)18(14)27(22)35/h8-12,33,35H,6-7H2,1-5H3/t9-,10-,11+,12+/m0/s1
InChIKeyKZAPENNZKGMMEB-NNYUYHANSA-N
ChEBI Ontology
Outgoing Relation(s)
Cardinalin-6 (CHEBI:217916) is a oxacycle (CHEBI:38104)
IUPAC Name 
(7R,9S,21R,23S)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.02,15.04,13.06,11.018,27.020,25]nonacosa-1(29),2(15),4,6(11),12,17,20(25),27-octaene-3,14,19,26-tetrone
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