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(Q105245471)
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English
(R)-Skyrin 2-xyloside
group of stereoisomers with the chemical formula C₃₅H₂₆O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
670.5739
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₂₆O₁₄
0 references
canonical SMILES
O=C1C2=CC(=CC(O)=C2C(=O)C=3C(O)=CC(O)=C(C13)C=4C(OC5OCC(O)C(O)C5O)=CC(O)=C6C(=O)C7=C(O)C=C(C=C7C(=O)C64)C)C
0 references
Identifiers
InChI
InChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3
0 references
InChIKey
RTWSMOOOURBUSZ-UHFFFAOYSA-N
0 references
PubChem CID
73804165
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RTWSMOOOURBUSZ-UHFFFAOYSA-N
ChEBI ID
184879
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3
UniChem compound ID
32005380
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036319
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RTWSMOOOURBUSZ-UHFFFAOYSA-N
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