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CHEBI:197555 - Cardinalin 8

ChEBI IDCHEBI:197555
ChEBI NameCardinalin 8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O10
Net Charge0
Average Mass582.646
Monoisotopic Mass582.24650
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@H]1[C@@H](C[C@H](C)O[C@@H]1C)[C@H]2O
InChIInChI=1S/C32H38O10/c1-11-7-15-21(13(3)41-11)29(35)23-17(27(15)33)9-19(39-5)25(31(23)37)26-20(40-6)10-18-24(32(26)38)30(36)22-14(4)42-12(2)8-16(22)28(18)34/h9-16,21-22,27-28,33-34,37-38H,7-8H2,1-6H3/t11-,12-,13+,14+,15+,16+,21+,22+,27+,28+/m0/s1
InChIKeyAIUGWOVGEYHKII-VBBUSCQISA-N
Species of MetaboliteComponentSourceComments
Cortinarius cardinalis (ncbitaxon:183877) - DOI (10.1071/c97110)
ChEBI Ontology
Outgoing Relation(s)
Cardinalin 8 (CHEBI:197555) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(1R,3S,4aR,5R,10aS)-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]-5,9-dihydroxy-7-methoxy-1,3-dimethyl-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-10-one
Manual XrefsDatabases
78436228ChemSpider