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CHEBI:206673 - Vaccinol O

ChEBI IDCHEBI:206673
ChEBI NameVaccinol O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESCC(C)=CCc1ccc(O)c2c1[C@@H](CCOC(=O)[C@H](C)O)OC2
InChIInChI=1S/C18H24O5/c1-11(2)4-5-13-6-7-15(20)14-10-23-16(17(13)14)8-9-22-18(21)12(3)19/h4,6-7,12,16,19-20H,5,8-10H2,1-3H3/t12-,16+/m0/s1
InChIKeyFPKYXTONBVYQDF-BLLLJJGKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (28625729)
ChEBI Ontology
Outgoing Relation(s)
Vaccinol O (CHEBI:206673) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
2-[(1R)-4-hydroxy-7-(3-methylbut-2-enyl)-1,3-dihydro-2-benzouran-1-yl]ethyl (2S)-2-hydroxypropanoate
Manual XrefsDatabases
62285130ChemSpider