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(Q115947115)
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English
Shisonin B
group of stereoisomers with the chemical formula C₃₆H₃₇O₁₈⁺
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
mass
757.19744076409
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₃₇O₁₈⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=C(O)C5)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6
0 references
found in taxon
basil
1 reference
stated in
Anthocyanins in Basil (Ocimum basilicumL.)
Perilla frutescens
1 reference
stated in
Characterisation of phenolic phytochemicals and quality changes related to the harvest times from the leaves of Korean purple perilla (Perilla frutescens)
Identifiers
InChI
InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1
0 references
InChIKey
YPXWWSJGANMFFQ-UHFFFAOYSA-O
0 references
PubChem CID
14332696
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
32004689
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030581
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YPXWWSJGANMFFQ-UHFFFAOYSA-O
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