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CHEBI:228852 - Blinin

ChEBI IDCHEBI:228852
ChEBI NameBlinin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@]12C[C@H](O)C=C(CO)[C@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1
InChIInChI=1S/C22H32O6/c1-14-4-7-22(13-28-15(2)24)17(11-23)9-18(25)10-19(22)21(14,3)6-5-16-8-20(26)27-12-16/h8-9,14,18-19,23,25H,4-7,10-13H2,1-3H3/t14-,18-,19-,21+,22-/m1/s1
InChIKeyXXSSNTKMBVTREV-DDHROXKOSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Blinin (CHEBI:228852) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2S,4aS,7R,8S,8aR)-2-hydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-uran-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl acetate
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28420762ChemSpider