CHEBI:228852 - Blinin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Blinin
ChEBI ID CHEBI:228852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.492
Monoisotopic Mass 392.21989
InChI InChI=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
InChIKey XXSSNTKMBVTREV-DDHROXKOSA-N
SMILES O(C[C@]12[C@@]([C@]([C@@H](CC1)C)(CCC=3COC(=O)C3)C)(C[C@H](O)C=C2CO)[H])C(=O)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xref Database
28420762 ChemSpider
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