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CHEBI:207049 - 7alpha-Hydroxybotryenalol

ChEBI IDCHEBI:207049
ChEBI Name7alpha-Hydroxybotryenalol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCC(=O)O[C@H]1C[C@@H](C)C(C=O)=C2[C@@H]1C(C)(C)[C@@H](O)[C@]2(C)CO
InChIInChI=1S/C17H26O5/c1-9-6-12(22-10(2)20)14-13(11(9)7-18)17(5,8-19)15(21)16(14,3)4/h7,9,12,14-15,19,21H,6,8H2,1-5H3/t9-,12+,14-,15-,17-/m1/s1
InChIKeyLCAFIAWKWPMFHH-RTNSRKOKSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (19160523)
ChEBI Ontology
Outgoing Relation(s)
7alpha-Hydroxybotryenalol (CHEBI:207049) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
[(1S,2R,3aR,4S,6R)-7-ormyl-2-hydroxy-1-(hydroxymethyl)-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-4-yl] acetate
Manual XrefsDatabases
28285746ChemSpider