EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203515 - Cardinalin 12

ChEBI IDCHEBI:203515
ChEBI NameCardinalin 12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O10
Net Charge0
Average Mass580.630
Monoisotopic Mass580.23085
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)C2=O
InChIInChI=1S/C32H36O10/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/h9-16,21-22,27,33,37-38H,7-8H2,1-6H3/t11-,12-,13+,14+,15+,16-,21+,22+,27+/m0/s1
InChIKeySEFMRMJRLFTJBY-BWBHNWBASA-N
Species of MetaboliteComponentSourceComments
Cortinarius cardinalis (ncbitaxon:183877) - DOI (10.1071/c97110)
ChEBI Ontology
Outgoing Relation(s)
Cardinalin 12 (CHEBI:203515) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(1R,3S,4aS,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]-9-hydroxy-7-methoxy-1,3-dimethyl-3,4,4a,10a-tetrahydro-1H-benzo[g]isochromene-5,10-dione
Manual XrefsDatabases
78437024ChemSpider