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(Q105362596)
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English
YUCORSXPQUBWMI-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₇H₇₄O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
cycloartane triterpenoid
1 reference
inferred from
cycloartane triterpenoid
mass
942.482430148
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₇H₇₄O₁₉
0 references
canonical SMILES
O=C1OC(CC=C1C)C(C)C2C(O)CC3(C)C4CCC5C(C)(CO)C(OC6OCC(O)C(O)C6OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)CCC95CC49CCC23C
0 references
found in taxon
Aquilegia flabellata
1 reference
stated in
Four new cycloartane glycosides from Aquilegia vulgaris and their immunosuppressive activities in mouse allogeneic mixed lymphocyte reaction
Identifiers
InChI
InChI=1S/C47H74O19/c1-20-6-7-24(62-39(20)59)21(2)30-22(50)14-45(5)28-9-8-27-43(3,19-49)29(10-11-46(27)18-47(28,46)13-12-44(30,45)4)65-42-38(31(52)23(51)16-60-42)66-41-37(58)35(56)33(54)26(64-41)17-61-40-36(57)34(55)32(53)25(15-48)63-40/h6,21-38,40-42,48-58H,7-19H2,1-5H3
0 references
InChIKey
YUCORSXPQUBWMI-UHFFFAOYSA-N
0 references
PubChem CID
162973315
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
YUCORSXPQUBWMI-UHFFFAOYSA-N
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