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CHEBI:199047 - (2S*, 4R*, 8R*, 1′S*)4,8-dihydroxy-2-(1-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one

ChEBI IDCHEBI:199047
ChEBI Name(2S*, 4R*, 8R*, 1′S*)4,8-dihydroxy-2-(1-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESCCCCCC[C@@H](O)[C@H]1C[C@H](O)C2=C(O1)[C@H](O)CCC2=O
InChIInChI=1S/C16H26O5/c1-2-3-4-5-6-10(17)14-9-13(20)15-11(18)7-8-12(19)16(15)21-14/h10,12-14,17,19-20H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1
InChIKeyYSFPWLQJKYZZEG-RUZUBIRVSA-N
Species of MetaboliteComponentSourceComments
Trichoderma koningii (ncbitaxon:97093) - DOI (10.1021/np50061a008)
ChEBI Ontology
Outgoing Relation(s)
(2S*, 4R*, 8R*, 1′S*)4,8-dihydroxy-2-(1-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one (CHEBI:199047) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2R,4S,8R)-4,8-dihydroxy-2-[(1R)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
Manual XrefsDatabases
78440032ChemSpider