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CHEBI:201523 - Epiequisetin

ChEBI IDCHEBI:201523
ChEBI NameEpiequisetin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO4
Net Charge0
Average Mass373.493
Monoisotopic Mass373.22531
SMILESCC=CC1C=CC2CC(C)CCC2C1(C)C(O)=C1C(=O)C(CO)N(C)C1=O
InChIInChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3
InChIKeyQNQBPPQLRODXET-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Epiequisetin (CHEBI:201523) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Name 
(3E,5R)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
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