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CHEBI:5461 - Glycinoeclepin A

Default Structure
ChEBI IDCHEBI:5461
ChEBI NameGlycinoeclepin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H36O6
Net Charge0
Average Mass432.557
Monoisotopic Mass432.25119
SMILESC[C@H](CC(=O)O)[C@]1(C)CC=C2C(C(=O)O)=C(C[C@]34CC[C@H](O3)C(C)(C)C4)C[C@@H](O)[C@]21C
InChIInChI=1S/C25H36O6/c1-14(10-19(27)28)23(4)8-6-16-20(21(29)30)15(11-17(26)24(16,23)5)12-25-9-7-18(31-25)22(2,3)13-25/h6,14,17-18,26H,7-13H2,1-5H3,(H,27,28)(H,29,30)/t14-,17-,18+,23+,24+,25+/m1/s1
InChIKeyJVZMODMXLQSGPI-MKBZWPJDSA-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)
Glycinoeclepin A (CHEBI:5461) is a dicarboxylic acid (CHEBI:35692)
Synonym  Source
Glycinoeclepin AKEGG COMPOUND
Manual XrefsDatabases
C00003713KNApSAcK
C08765KEGG COMPOUND
Registry NumbersSources
CAS:83216-10-8KEGG COMPOUND