EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201501 - A83016F

ChEBI IDCHEBI:201501
ChEBI NameA83016F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H55NO10
Net Charge0
Average Mass673.844
Monoisotopic Mass673.38260
SMILESCC=CC=CC1OC(O)(C(CC)C(=O)NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(O)C(O)C1(C)C
InChIInChI=1S/C37H55NO10/c1-8-10-13-20-30-36(5,6)33(42)34(43)37(45,48-30)26(9-2)35(44)38-22-17-16-18-24(3)32(46-7)25(4)29-23-27(39)28(47-29)19-14-11-12-15-21-31(40)41/h8,10-21,25-30,32-34,39,42-43,45H,9,22-23H2,1-7H3,(H,38,44)(H,40,41)
InChIKeyNVGDRZNFKVTHMG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
A83016F (CHEBI:201501) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2E,4E,6E)-7-[(2R,3R,5R)-3-hydroxy-5-[(2S,3S,4E,6E)-3-methoxy-4-methyl-8-[[(2S)-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanoyl]amino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid
Manual XrefsDatabases
4952769ChemSpider