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(Q105266228)
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English
Delphinidin 3-O-sambubioside
group of stereoisomers with the chemical formula C₂₆H₂₉O₁₆⁺
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavylium compound
1 reference
inferred from
flavylium compound
mass
597.14501126809
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₉O₁₆⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)C(=[O+]C2C1)C=5C=C(O)C(O)=C(O)C5
0 references
found in taxon
Aronia melanocarpa
1 reference
stated in
Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity
Ribes nigrum
1 reference
stated in
Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity
Ribes rubrum
1 reference
stated in
Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity
Ribes uva-crispa
1 reference
stated in
Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity
Sambucus nigra
1 reference
stated in
Characterization of anthocyanins and proanthocyanidins in some cultivars of Ribes, Aronia, and Sambucus and their antioxidant capacity
Hibiscus sabdariffa
1 reference
stated in
Floral anthocyanins of some malesian Hibiscus species
Eleutherococcus divaricatus
1 reference
stated in
Anthocyanin of Acanthopanax divaricatus
Identifiers
InChI
InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1
0 references
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
0 references
PubChem CID
74977035
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
UniChem compound ID
32007991
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308839
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310529
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306723
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306730
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306737
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306744
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306751
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306758
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306765
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306772
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306778
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306785
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306792
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR306799
1 reference
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID401341522
1 reference
matched by identifier from
InChIKey
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
Cannabis Database ID
005210
1 reference
stated in
Cannabis Database
Human Metabolome Database ID
HMDB0038003
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TWYYVOVDSNRIJM-UHFFFAOYSA-O
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