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(Q105133813)
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English
Cyclotricuspidoside C
group of stereoisomers with the chemical formula C₄₃H₇₂O₁₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
24-methylcycloartane steroid
1 reference
inferred from
24-methylcycloartane steroid
mass
860.4769508440005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₃H₇₂O₁₇
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)C(O)CC(O)C34CC54CCC6(C)C(C(O)CC6(C)C5CCC23)C(C)CCC(O)(COC7OC(CO)C(O)C(O)C7O)C(C)C
0 references
Identifiers
InChI
InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3
0 references
InChIKey
JRBZRACFBGYSHE-UHFFFAOYSA-N
0 references
PubChem CID
73801618
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JRBZRACFBGYSHE-UHFFFAOYSA-N
ChEBI ID
186790
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3
UniChem compound ID
32000034
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0033636
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JRBZRACFBGYSHE-UHFFFAOYSA-N
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