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CHEBI:133869 - α-bradyrhizose

ChEBI IDCHEBI:133869
ChEBI Nameα-bradyrhizose
Stars
ASCII Namealpha-bradyrhizose
DefinitionA heptol that is 6-methylhexahydro-1-benzopyran carrying seven hydroxy substituents located at positions 2, 3, 4, 4a, 5, 6 and 7.
Last Modified23 February 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H18O8
Net Charge0
Average Mass266.246
Monoisotopic Mass266.10017
SMILES[H][C@@]12C[C@H](O)[C@@](C)(O)[C@H](O)[C@@]1(O)[C@H](O)[C@@H](O)[C@@H](O)O2
InChIInChI=1S/C10H18O8/c1-9(16)3(11)2-4-10(17,8(9)15)6(13)5(12)7(14)18-4/h3-8,11-17H,2H2,1H3/t3-,4+,5+,6+,7-,8-,9+,10-/m0/s1
InChIKeyXFOUCIVMTOHAFS-YEIGRWJQSA-N
ChEBI Ontology
Outgoing Relation(s)
α-bradyrhizose (CHEBI:133869) is a heptol (CHEBI:62610)
α-bradyrhizose (CHEBI:133869) is a lactol (CHEBI:38131)
α-bradyrhizose (CHEBI:133869) is a organic heterobicyclic compound (CHEBI:27171)
IUPAC Name 
(2S,3R,4R,4aS,5S,6R,7S,8aR)-6-methylhexahydro-2H-1-benzopyran-2,3,4,4a,5,6,7(5H)-heptol
Synonym  Source
bradyrhizoseChEBI
Registry NumbersSources
Reaxys:28018124Reaxys
Citations