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(Q110204677)
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English
Malvin
group of stereoisomers with the chemical formula C₂₉H₃₅O₁₇⁺
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
mass
655.18687608009
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₅O₁₇⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=C(OC)C(O)=C(OC)C5
0 references
found in taxon
Geranium platyanthum
1 reference
stated in
Malvidin 3-(6-acetylglucoside)-5-glucoside and other anthocyanins from flowers of Geranium sylvaticum
Geranium lambertii
1 reference
stated in
Malvidin 3-(6-acetylglucoside)-5-glucoside and other anthocyanins from flowers of Geranium sylvaticum
Identifiers
InChI
InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1
0 references
InChIKey
CILLXFBAACIQNS-UHFFFAOYSA-O
0 references
PubChem CID
3830888
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CILLXFBAACIQNS-UHFFFAOYSA-O
UniChem compound ID
27134289
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PT108380
1 reference
InChIKey
CILLXFBAACIQNS-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-PT208380
1 reference
InChIKey
CILLXFBAACIQNS-UHFFFAOYSA-O
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0038009
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CILLXFBAACIQNS-UHFFFAOYSA-O
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