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CHEBI:213459 - Phomopsinin A

ChEBI IDCHEBI:213459
ChEBI NamePhomopsinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O7
Net Charge0
Average Mass322.313
Monoisotopic Mass322.10525
SMILESCOc1cc(OC)c2c(c1)C(=O)OC[C@H]([C@H](O)CC(C)=O)C2=O
InChIInChI=1S/C16H18O7/c1-8(17)4-12(18)11-7-23-16(20)10-5-9(21-2)6-13(22-3)14(10)15(11)19/h5-6,11-12,18H,4,7H2,1-3H3/t11-,12-/m1/s1
InChIKeyAGOCFXXVOBHLOR-VXGBXAGGSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (32757200)
ChEBI Ontology
Outgoing Relation(s)
Phomopsinin A (CHEBI:213459) is a oxacycle (CHEBI:38104)
IUPAC Name 
(4R)-4-[(1R)-1-hydroxy-3-oxobutyl]-6,8-dimethoxy-3,4-dihydro-2-benzoxepine-1,5-dione