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CHEBI:218002 - (2S,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzouran-6,7-diol

ChEBI IDCHEBI:218002
ChEBI Name(2S,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzouran-6,7-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O4
Net Charge0
Average Mass270.369
Monoisotopic Mass270.18311
SMILESC=C1[C@H]2CC[C@](C)(O)[C@H](O)[C@H]2O[C@@H]1[C@H](O)CC(C)C
InChIInChI=1S/C15H26O4/c1-8(2)7-11(16)12-9(3)10-5-6-15(4,18)14(17)13(10)19-12/h8,10-14,16-18H,3,5-7H2,1-2,4H3/t10-,11-,12+,13+,14-,15+/m1/s1
InChIKeyCEKFGAOHBGKERD-YRKSKIDTSA-N
Species of MetaboliteComponentSourceComments
Pleurotus eryngii (ncbitaxon:5323) - PubMed (29959051)
ChEBI Ontology
Outgoing Relation(s)
(2S,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzouran-6,7-diol (CHEBI:218002) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2S,3aR,6S,7R,7aS)-2-[(1R)-1-hydroxy-3-methylbutyl]-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzouran-6,7-diol