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CHEBI:5519 - Gomphrenin-V

ChEBI IDCHEBI:5519
ChEBI NameGomphrenin-V
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H34N2O16
Net Charge0
Average Mass726.644
Monoisotopic Mass726.19083
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3cc4c(cc3O)C[C@@H](C(=O)[O-])/[N+]4=C\C=C3\C=C(C(=O)O)N[C@H](C(=O)O)C3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
InChIInChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-13-20-17(12-23(25)38)11-21(33(47)48)36(20)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1
InChIKeyPZVSGHKONASTEC-WPUGSIMNSA-N
ChEBI Ontology
Outgoing Relation(s)
Gomphrenin-V (CHEBI:5519) has functional parent tetracarboxylic acid (CHEBI:35742)
Gomphrenin-V (CHEBI:5519) is a organooxygen compound (CHEBI:36963)
Synonym  Source
Gomphrenin-VKEGG COMPOUND
Manual XrefsDatabases
C08547KEGG COMPOUND
C00001589KNApSAcK
Registry NumbersSources
CAS:16955-52-5KEGG COMPOUND