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CHEBI:9299 - Subaphyllin

ChEBI IDCHEBI:9299
ChEBI NameSubaphyllin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H20N2O3
Net Charge0
Average Mass264.325
Monoisotopic Mass264.14739
SMILESCOc1cc(/C=C/C(=O)NCCCCN)ccc1O
InChIInChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+
InChIKeySFUVCMKSYKHYLD-FNORWQNLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Subaphyllin (CHEBI:9299) is a hydroxycinnamic acid (CHEBI:24689)
Synonyms  Source
SubaphyllinKEGG COMPOUND
FeruloylputrescineKEGG COMPOUND
SubaphyllinKEGG COMPOUND
Manual XrefsDatabases
C10497KEGG COMPOUND
C00002780KNApSAcK
HMDB0139553HMDB
Registry NumbersSources
CAS:501-13-3KEGG COMPOUND