EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138798 - Melilotoside A

Default Structure
ChEBI IDCHEBI:138798
ChEBI NameMelilotoside A
Stars
Last Modified23 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC35H58O7
Net Charge0
Average Mass590.842
Monoisotopic Mass590.41825
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)C[C@@H](O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C35H58O7/c1-30(2)16-21-20-8-9-24-32(4)12-11-26(42-29-28(40)27(39)22(37)18-41-29)33(5,19-36)23(32)10-13-35(24,7)34(20,6)15-14-31(21,3)25(38)17-30/h8,21-29,36-40H,9-19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28+,29-,31+,32-,33+,34+,35+/m0/s1
InChIKeySYUYZPNEOBRDLE-ZODKBTMMSA-N
ChEBI Ontology
Outgoing Relation(s)
Melilotoside A (CHEBI:138798) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
10252452ChemSpider