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(Q105005125)
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English
3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
group of stereoisomers with the chemical formula C₂₈H₃₂O₁₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
608.1741203239998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₂O₁₅
0 references
canonical SMILES
O=C1C(OC2OC(C)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(OC)C5
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Identifiers
InChI
InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3
0 references
InChIKey
FZQRUXCCSWOZFJ-UHFFFAOYSA-N
0 references
PubChem CID
14238620
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FZQRUXCCSWOZFJ-UHFFFAOYSA-N
ChEBI ID
176225
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3
UniChem compound ID
31996026
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038819
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FZQRUXCCSWOZFJ-UHFFFAOYSA-N
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