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CHEBI:209831 - Pestalotheol P

ChEBI IDCHEBI:209831
ChEBI NamePestalotheol P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O7
Net Charge0
Average Mass328.361
Monoisotopic Mass328.15220
SMILESCC(C)(O)[C@H]1C[C@]2(O)[C@H](CC3=C(OC(C)(C)[C@@H](O)C3=O)[C@@H]2O)O1
InChIInChI=1S/C16H24O7/c1-14(2,20)9-6-16(21)8(22-9)5-7-10(17)12(18)15(3,4)23-11(7)13(16)19/h8-9,12-13,18-21H,5-6H2,1-4H3/t8-,9+,12-,13-,16-/m0/s1
InChIKeyMOUCGAZJRYCYET-DGQXBNFPSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (32102178)
ChEBI Ontology
Outgoing Relation(s)
Pestalotheol P (CHEBI:209831) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3aR,4R,7R,9aS)-3a,4,7-trihydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-2,3,4,7,9,9a-hexahydrouro[2,3-g]chromen-8-one
Manual XrefsDatabases
81407936ChemSpider