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(Q104977730)
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English
Chrysophanol 8-gentiobioside
group of stereoisomers with the chemical formula C₂₇H₃₀O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
578.16355564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₀O₁₄
0 references
canonical SMILES
O=C1C=2C=CC=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2C(=O)C5=C(O)C=C(C=C15)C
0 references
found in taxon
Rheum emodi
1 reference
stated in
Sulfemodin 8-O-beta-D-glucoside, a new sulfated anthraquinone glycoside, and antioxidant phenolic compounds from Rheum emodi
Rheum webbianum
1 reference
stated in
Sulfemodin 8-O-beta-D-glucoside, a new sulfated anthraquinone glycoside, and antioxidant phenolic compounds from Rheum emodi
Identifiers
InChI
InChI=1S/C27H30O14/c1-9-5-11-16(12(29)6-9)21(33)17-10(18(11)30)3-2-4-13(17)39-27-25(37)23(35)20(32)15(41-27)8-38-26-24(36)22(34)19(31)14(7-28)40-26/h2-6,14-15,19-20,22-29,31-32,34-37H,7-8H2,1H3
0 references
InChIKey
DFCJAHQKYCYICW-UHFFFAOYSA-N
0 references
PubChem CID
131752659
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DFCJAHQKYCYICW-UHFFFAOYSA-N
ChEBI ID
192041
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H30O14/c1-9-5-11-16(12(29)6-9)21(33)17-10(18(11)30)3-2-4-13(17)39-27-25(37)23(35)20(32)15(41-27)8-38-26-24(36)22(34)19(31)14(7-28)40-26/h2-6,14-15,19-20,22-29,31-32,34-37H,7-8H2,1H3
UniChem compound ID
32005793
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039488
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DFCJAHQKYCYICW-UHFFFAOYSA-N
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