EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176243 - Graveobioside A

ChEBI IDCHEBI:176243
ChEBI NameGraveobioside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O15
Net Charge0
Average Mass580.495
Monoisotopic Mass580.14282
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
InChIInChI=1S/C26H28O15/c27-7-18-20(33)21(34)22(41-25-23(35)26(36,8-28)9-37-25)24(40-18)38-11-4-14(31)19-15(32)6-16(39-17(19)5-11)10-1-2-12(29)13(30)3-10/h1-6,18,20-25,27-31,33-36H,7-9H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKeyYSXNEFJASLJGTK-YRCFQSNFSA-N
ChEBI Ontology
Outgoing Relation(s)
Graveobioside A (CHEBI:176243) is a flavonoids (CHEBI:72544)
Graveobioside A (CHEBI:176243) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
Manual XrefsDatabases
59696196ChemSpider