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CHEBI:208179 - Pestaloficiol D

ChEBI IDCHEBI:208179
ChEBI NamePestaloficiol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC1(C)CC(=O)C2=C(O1)[C@@]1(C[C@H]1C(C)(C)O)[C@@H](O)[C@@H](O)C2
InChIInChI=1S/C16H24O5/c1-14(2)6-10(18)8-5-9(17)12(19)16(13(8)21-14)7-11(16)15(3,4)20/h9,11-12,17,19-20H,5-7H2,1-4H3/t9-,11-,12-,16+/m0/s1
InChIKeyUBYATBJSFPEGMT-KHMNTURCSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (18468908)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol D (CHEBI:208179) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2'R,6S,7R,8R)-6,7-dihydroxy-2'-(2-hydroxypropan-2-yl)-2,2-dimethylspiro[3,5,6,7-tetrahydrochromene-8,1'-cyclopropane]-4-one
Manual XrefsDatabases
24710529ChemSpider