EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208634 - Hansforester A

ChEBI IDCHEBI:208634
ChEBI NameHansforester A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H40O14
Net Charge0
Average Mass684.691
Monoisotopic Mass684.24181
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H](C)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@H](C)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1
InChIInChI=1S/C35H40O14/c1-17-6-24(36)15-28(40)32(17)34(44)48-20(4)9-31(43)47-19(3)8-23-13-27(39)16-29(41)33(23)35(45)49-21(5)10-30(42)46-18(2)7-22-11-25(37)14-26(38)12-22/h6,11-16,18-21,36-41H,7-10H2,1-5H3/t18-,19-,20-,21-/m1/s1
InChIKeyRWKBSPLSXUPIGE-XRXFAXGQSA-N
Species of MetaboliteComponentSourceComments
Ascotricha sinuosa (ncbitaxon:1217297) - DOI (10.1039/c8ra08606k)
ChEBI Ontology
Outgoing Relation(s)
Hansforester A (CHEBI:208634) has functional parent tetracarboxylic acid (CHEBI:35742)
Hansforester A (CHEBI:208634) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R)-4-[(2R)-1-[2-[(2R)-4-[(2R)-1-(3,5-dihydroxyphenyl)propan-2-yl]oxy-4-oxobutan-2-yl]oxycarbonyl-3,5-dihydroxyphenyl]propan-2-yl]oxy-4-oxobutan-2-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
71048429ChemSpider