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CHEBI:217994 - (2S,3R,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzouran-6,7-diol

ChEBI IDCHEBI:217994
ChEBI Name(2S,3R,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzouran-6,7-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O4
Net Charge0
Average Mass272.385
Monoisotopic Mass272.19876
SMILESCC(C)C[C@@H](O)[C@H]1O[C@H]2[C@H](CC[C@](C)(O)[C@@H]2O)[C@H]1C
InChIInChI=1S/C15H28O4/c1-8(2)7-11(16)12-9(3)10-5-6-15(4,18)14(17)13(10)19-12/h8-14,16-18H,5-7H2,1-4H3/t9-,10-,11-,12+,13+,14-,15+/m1/s1
InChIKeyMHJWGHWJVQTZPK-BRMKEXSVSA-N
Species of MetaboliteComponentSourceComments
Pleurotus eryngii (ncbitaxon:5323) - PubMed (29959051)
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzouran-6,7-diol (CHEBI:217994) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2S,3R,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzouran-6,7-diol