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CHEBI:5518 - Gomphrenin-I

ChEBI IDCHEBI:5518
ChEBI NameGomphrenin-I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H26N2O13
Net Charge0
Average Mass550.473
Monoisotopic Mass550.14349
SMILESO=C(O)C1=C/C(=C/C=[N+]2/c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3C[C@H]2C(=O)[O-])C[C@@H](C(=O)O)N1
InChIInChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1
InChIKeyYUDKHXMQDKVDGU-FMOSSLLZSA-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)
Gomphrenin-I (CHEBI:5518) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
Gomphrenin-IKEGG COMPOUND
Manual XrefsDatabases
C00001588KNApSAcK
C08544KEGG COMPOUND
Registry NumbersSources
CAS:17008-59-2KEGG COMPOUND