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CHEBI:225041 - Cardinalin 11

ChEBI IDCHEBI:225041
ChEBI NameCardinalin 11
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O11
Net Charge0
Average Mass598.645
Monoisotopic Mass598.24141
SMILESCOc1cc2c(c(O)c1-c1c(OC)cc3c(c1O)C(=O)[C@@H]1[C@@H](C)O[C@@H](C)C[C@@]1(O)[C@H]3O)C(=O)[C@H]1[C@@H](C[C@H](C)O[C@@H]1C)[C@H]2O
InChIInChI=1S/C32H38O11/c1-11-7-15-20(13(3)42-11)27(34)21-16(26(15)33)8-18(40-5)23(28(21)35)24-19(41-6)9-17-22(29(24)36)30(37)25-14(4)43-12(2)10-32(25,39)31(17)38/h8-9,11-15,20,25-26,31,33,35-36,38-39H,7,10H2,1-6H3/t11-,12-,13+,14+,15+,20+,25-,26+,31-,32-/m0/s1
InChIKeyROKFBJGGCFNGBG-LOOWBDPDSA-N
Species of MetaboliteComponentSourceComments
Cortinarius cardinalis (ncbitaxon:183877) - DOI (10.1071/c97110)
ChEBI Ontology
Outgoing Relation(s)
Cardinalin 11 (CHEBI:225041) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(1R,3S,4aS,5S,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]-4a,5,9-trihydroxy-7-methoxy-1,3-dimethyl-3,4,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
Manual XrefsDatabases
78438302ChemSpider