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CHEBI:211127 - Biscogniphthalide A

ChEBI IDCHEBI:211127
ChEBI NameBiscogniphthalide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O7
Net Charge0
Average Mass350.367
Monoisotopic Mass350.13655
SMILESCOC(=O)C[C@H]1C[C@@H](C)O[C@@H](c2cc(C)c(OC)c3c2COC3=O)O1
InChIInChI=1S/C18H22O7/c1-9-5-12(13-8-23-17(20)15(13)16(9)22-4)18-24-10(2)6-11(25-18)7-14(19)21-3/h5,10-11,18H,6-8H2,1-4H3/t10-,11-,18-/m1/s1
InChIKeyGAIFOSFDGGZWGW-PJYBLOJUSA-N
Species of MetaboliteComponentSourceComments
Biscogniauxiaspecies (ncbitaxon:1896107) - PubMed (31145983)
ChEBI Ontology
Outgoing Relation(s)
Biscogniphthalide A (CHEBI:211127) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
methyl 2-[(2R,4R,6R)-2-(7-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-yl)-6-methyl-1,3-dioxan-4-yl]acetate