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(Q105297292)
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English
1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid
group of stereoisomers with the chemical formula C₃₀H₄₈O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
taraxastane / ursane triterpenoid
1 reference
inferred from
taraxastane / ursane triterpenoid
mass
504.3450892559998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₈O₆
0 references
canonical SMILES
O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C(C)(CCC5C(C)(C)C(O)C(O)C(O)C45C)C3(C)CC1
0 references
found in taxon
Rubus ellipticus var. obcordatus
1 reference
stated in
Triterpenoid saponins from Rubus ellipticus var. obcordatus
Identifiers
InChI
InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)
0 references
InChIKey
VULLSLYDWNGNKZ-UHFFFAOYSA-N
0 references
PubChem CID
14312995
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VULLSLYDWNGNKZ-UHFFFAOYSA-N
UniChem compound ID
69879709
1 reference
stated in
UniChem
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