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(Q104999850)
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English
Picraquassioside A
group of stereoisomers with the chemical formula C₁₈H₂₂O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic benzofuran
1 reference
inferred from
biogenic benzofuran
mass
398.1212969039998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂O₁₀
0 references
canonical SMILES
O=C(O)CCC1=C(OC2OC(CO)C(O)C(O)C2O)C=C3OC=CC3=C1OC
0 references
Identifiers
InChI
InChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)
0 references
InChIKey
FQTKOEVCGAVVIG-UHFFFAOYSA-N
0 references
PubChem CID
85502992
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FQTKOEVCGAVVIG-UHFFFAOYSA-N
ChEBI ID
190060
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)
UniChem compound ID
32005214
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0041285
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FQTKOEVCGAVVIG-UHFFFAOYSA-N
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