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(Q115969237)
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English
IKEWLGVYXICOOS-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₉H₇₈O₂₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
1,018.498474136
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₉H₇₈O₂₂
0 references
canonical SMILES
O=C(OC)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC4(C(=CC(OC)C5C6(C)CC(O)C(OC7OCC(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(C)(CO)C6CCC54C)C2C1)C
0 references
found in taxon
Phytolacca americana
1 reference
stated in
Bioactive triterpene saponins from the roots of Phytolacca americana
Identifiers
InChI
InChI=1S/C49H78O22/c1-44(42(62)65-7)10-12-49(43(63)71-41-36(61)33(58)30(55)26(18-51)68-41)13-11-47(4)21(22(49)15-44)14-24(64-6)37-45(2)16-23(53)38(46(3,20-52)28(45)8-9-48(37,47)5)70-39-34(59)31(56)27(19-66-39)69-40-35(60)32(57)29(54)25(17-50)67-40/h14,22-41,50-61H,8-13,15-20H2,1-7H3
0 references
InChIKey
IKEWLGVYXICOOS-UHFFFAOYSA-N
0 references
PubChem CID
163010184
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IKEWLGVYXICOOS-UHFFFAOYSA-N
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