EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212828 - (11S,12R) Piericidin C1 10-O-beta-D-glucoside

ChEBI IDCHEBI:212828
ChEBI Name(11S,12R) Piericidin C1 10-O-beta-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47NO10
Net Charge0
Average Mass593.714
Monoisotopic Mass593.32000
SMILESCOc1nc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]2(C)O[C@@H]2C)c(C)c(=O)c1OC
InChIInChI=1S/C31H47NO10/c1-16(12-13-21-19(4)23(34)27(38-7)29(32-21)39-8)10-9-11-17(2)14-18(3)28(31(6)20(5)42-31)41-30-26(37)25(36)24(35)22(15-33)40-30/h9,11-12,14,18,20,22,24-26,28,30,33,35-37H,10,13,15H2,1-8H3,(H,32,34)/b11-9+,16-12+,17-14+/t18-,20-,22-,24-,25+,26-,28-,30+,31+/m1/s1
InChIKeyIVXAFGQCCBSPRS-VOXVIXIFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31298537)
ChEBI Ontology
Outgoing Relation(s)
(11S,12R) Piericidin C1 10-O-beta-D-glucoside (CHEBI:212828) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
2-[(2E,5E,7E,9R,10R)-10-[(2S,3R)-2,3-dimethyloxiran-2-yl]-3,7,9-trimethyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
Manual XrefsDatabases
88293814ChemSpider