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(Q105309961)
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English
Rhamnazin 3-sophoroside
group of stereoisomers with the chemical formula C₂₉H₃₄O₁₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
654.179599628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₄O₁₇
0 references
canonical SMILES
O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)=C(OC4=CC(OC)=CC(O)=C14)C=5C=CC(O)=C(OC)C5
0 references
found in taxon
Nasturtium officinale
1 reference
stated in
Constituents in watercress: inhibitors of histamine release from RBL-2H3 cells induced by antigen stimulation
Identifiers
InChI
InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3
0 references
InChIKey
WPIJGCCJUFCJAE-UHFFFAOYSA-N
0 references
PubChem CID
131752322
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WPIJGCCJUFCJAE-UHFFFAOYSA-N
ChEBI ID
191811
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3
UniChem compound ID
31996908
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038235
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WPIJGCCJUFCJAE-UHFFFAOYSA-N
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