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(Q105156542)
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English
Sexangularetin 3-glucoside 7-rhamnoside
group of stereoisomers with the chemical formula C₂₈H₃₂O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
624.1690349439998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₂O₁₆
0 references
canonical SMILES
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=C(OC)C(OC4OC(C)C(O)C(O)C4O)=CC(O)=C13)C=5C=CC(O)=CC5
0 references
Identifiers
InChI
InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(40-9)41-13-7-12(31)15-18(34)26(44-28-22(38)20(36)17(33)14(8-29)42-28)23(43-25(15)24(13)39-2)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3
0 references
InChIKey
LSHYTUQCUQMUJP-UHFFFAOYSA-N
0 references
CAS Registry Number
47850-51-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
74978521
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
32022648
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901103769
1 reference
matched by identifier from
InChIKey
InChIKey
LSHYTUQCUQMUJP-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0037443
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LSHYTUQCUQMUJP-UHFFFAOYSA-N
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