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CHEBI:211134 - Biscogniphthalide B

ChEBI IDCHEBI:211134
ChEBI NameBiscogniphthalide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O7
Net Charge0
Average Mass336.340
Monoisotopic Mass336.12090
SMILESCOc1c(C)cc([C@H]2O[C@@H](CC(=O)O)C[C@@H](C)O2)c2c1C(=O)OC2
InChIInChI=1S/C17H20O7/c1-8-4-11(12-7-22-16(20)14(12)15(8)21-3)17-23-9(2)5-10(24-17)6-13(18)19/h4,9-10,17H,5-7H2,1-3H3,(H,18,19)/t9-,10-,17-/m1/s1
InChIKeyBUFKSCQYVNMSCC-VHCOLVSPSA-N
Species of MetaboliteComponentSourceComments
Biscogniauxiaspecies (ncbitaxon:1896107) - PubMed (31145983)
ChEBI Ontology
Outgoing Relation(s)
Biscogniphthalide B (CHEBI:211134) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
2-[(2R,4R,6R)-2-(7-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-yl)-6-methyl-1,3-dioxan-4-yl]acetic acid