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(Q110080992)
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English
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
group of stereoisomers with the chemical formula C₂₇H₃₁O₁₅⁺
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
mass
595.16574671209
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₁O₁₅⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=C(O)C=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=[O+]C2C1)C=5C=CC(O)=C(O)C5
0 references
found in taxon
Cornus canadensis
2 references
stated in
Cyanidin 3-(2-glucosylgalactoside) and other anthocyanins from fruits of Cornus suecica
stated in
Anthocyanins of cornaceae, Cornus canadensis
Asparagus
1 reference
stated in
Major anthocyanins from purple asparagus (Asparagus officinalis).
Cornus mas
2 references
stated in
Cyanidin 3-(2-glucosylgalactoside) and other anthocyanins from fruits of Cornus suecica
stated in
Anthocyanins of cornaceae, Cornus canadensis
Cornus suecica
1 reference
stated in
Anthocyanins of cornaceae, Cornus canadensis
Identifiers
InChI
InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1
0 references
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
0 references
PubChem CID
4481459
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
47294547
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308838
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305924
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305931
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305938
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305945
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305952
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305959
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305966
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305973
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305980
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305987
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR305994
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306001
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT104160
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT204160
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT204163
1 reference
InChIKey
USNPULRDBDVJAO-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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