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(Q104995112)
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English
methyl (5S)-5,7-dihydroxy-3-methyl-4,6-dioxooxepino[2,3-b]chromene-5-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
332.053217344
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₂O₈
0 references
canonical SMILES
O=C(OC)C1(O)C(=O)C(=COC=2OC=3C=CC=C(O)C3C(=O)C21)C
0 references
isomeric SMILES
COC(=O)[C@@]1(O)C(=O)C(C)=COc2oc3cccc(O)c3c(=O)c21
0 references
found in taxon
Ascochyta medicaginicola
1 reference
stated in
Xanthepinone, an antimicrobial polyketide from a soil fungus closely related to Phoma medicaginis.
Identifiers
InChI
InChI=1S/C16H12O8/c1-7-6-23-14-11(16(21,13(7)19)15(20)22-2)12(18)10-8(17)4-3-5-9(10)24-14/h3-6,17,21H,1-2H3/t16-/m0/s1
0 references
InChIKey
FGWWWUNZNJEQQX-INIZCTEOSA-N
0 references
PubChem CID
139038156
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FGWWWUNZNJEQQX-INIZCTEOSA-N
ChEBI ID
205307
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H12O8/c1-7-6-23-14-11(16(21,13(7)19)15(20)22-2)12(18)10-8(17)4-3-5-9(10)24-14/h3-6,17,21H,1-2H3/t16-/m0/s1
UniChem compound ID
153450286
1 reference
stated in
UniChem
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