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CHEBI:208855 - Cardinalin 9

ChEBI IDCHEBI:208855
ChEBI NameCardinalin 9
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O11
Net Charge0
Average Mass596.629
Monoisotopic Mass596.22576
SMILESCOc1cc2c(c(O)c1-c1c(OC)cc3c(c1O)C(=O)[C@H]1[C@@H](C[C@H](C)O[C@@H]1C)[C@H]3O)C(=O)[C@@]1(O)[C@H](C[C@H](C)O[C@@H]1C)C2=O
InChIInChI=1S/C32H36O11/c1-11-7-15-21(13(3)42-11)28(35)22-16(26(15)33)9-19(40-5)24(29(22)36)25-20(41-6)10-17-23(30(25)37)31(38)32(39)14(4)43-12(2)8-18(32)27(17)34/h9-15,18,21,26,33,36-37,39H,7-8H2,1-6H3/t11-,12-,13+,14+,15+,18+,21+,26+,32-/m0/s1
InChIKeyHDBJJEWAILVMQM-RHZYLHHPSA-N
Species of MetaboliteComponentSourceComments
Cortinarius cardinalis (ncbitaxon:183877) - DOI (10.1071/c97110)
ChEBI Ontology
Outgoing Relation(s)
Cardinalin 9 (CHEBI:208855) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(1R,3S,4aS,10aR)-8-[(1R,3S,4aR,5R,10aS)-5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-8-yl]-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1,3,4,4a-tetrahydrobenzo[g]isochromene-5,10-dione
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