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CHEBI:210564 - Lithocarol F

ChEBI IDCHEBI:210564
ChEBI NameLithocarol F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCc1ccc(O)c2c1[C@H](c1cc(C)cc3c1O[C@H](C(C)(C)O)CO3)OC2=O
InChIInChI=1S/C25H28O6/c1-13(2)6-7-15-8-9-17(26)21-20(15)23(31-24(21)27)16-10-14(3)11-18-22(16)30-19(12-29-18)25(4,5)28/h6,8-11,19,23,26,28H,7,12H2,1-5H3/t19-,23-/m0/s1
InChIKeyPIRIAKYXNOUWPI-CVDCTZTESA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (30954837)
ChEBI Ontology
Outgoing Relation(s)
Lithocarol F (CHEBI:210564) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-7-hydroxy-3-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-4-(3-methylbut-2-enyl)-3H-2-benzouran-1-one
Manual XrefsDatabases
78315822ChemSpider