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(Q110077482)
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English
(10S,11R)-Pterosin C 4-glucoside
group of stereoisomers with the chemical formula C₂₀H₂₈O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
396.178417856
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₈
0 references
canonical SMILES
O=C1C2=C(C(=C(C=C2C(O)C1C)C)CCOC3OC(CO)C(O)C(O)C3O)C
0 references
found in taxon
Pteris
1 reference
stated in
Chemical and biologically active constituents of Pteris multifida
Pteridium aquilinum
2 references
stated in
Structure of Pteroside A and C, Glycosides of Pteridium aquilinum var. latiusculum
stated in
Chemical and toxicological studies on bracken fern, Pteridium aquilinum var. latiusculum. I. Introduction, extraction and fractionation of constituents, and toxicological studies including carcinogenicity tests
Identifiers
InChI
InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3
0 references
InChIKey
VKDMMOFAMUXTQZ-UHFFFAOYSA-N
0 references
PubChem CID
12314745
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VKDMMOFAMUXTQZ-UHFFFAOYSA-N
ChEBI ID
175972
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3
UniChem compound ID
32008061
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038717
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VKDMMOFAMUXTQZ-UHFFFAOYSA-N
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