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CHEBI:216149 - Cardinalin-4

ChEBI IDCHEBI:216149
ChEBI NameCardinalin-4
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FormulaC31H28O11
Net Charge0
Average Mass576.554
Monoisotopic Mass576.16316
SMILESCOc1cc2c(c3oc4c(=O)c5c(=O)c6c(c(=O)c=5c(=O)c4c13)[C@@H](C)O[C@@H](C)C6)=C(O)[C@]1(O)[C@@H](C)O[C@@H](C)C[C@H]1C=2O
InChIInChI=1S/C31H28O11/c1-9-6-13-17(11(3)40-9)25(34)21-20(24(13)33)27(36)29-22(26(21)35)19-16(39-5)8-14-18(28(19)42-29)30(37)31(38)12(4)41-10(2)7-15(31)23(14)32/h8-12,15,32,37-38H,6-7H2,1-5H3/t9-,10-,11+,12+,15-,31-/m0/s1
InChIKeyVDVOXEOBUAGQNY-MQNKFPQESA-N
ChEBI Ontology
Outgoing Relation(s)
Cardinalin-4 (CHEBI:216149) is a quinone (CHEBI:36141)
IUPAC Name 
(7R,9S,20R,21R,23S,25S)-19,20,26-trihydroxy-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(17),2(15),4(13),6(11),18,26,28-heptaene-3,5,12,14-tetrone
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