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(Q105193386)
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English
Cistocardin
group of stereoisomers with the chemical formula C₅₁H₈₄O₂₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirostans
1 reference
inferred from
spirostans
mass
1,080.5352535680008
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₅₁H₈₄O₂₄
0 references
canonical SMILES
OCC1OC(OC2C(O)C(OC(OC3C(O)C(O)C(OC4CC5CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4O)OC3CO)C2OC%10OC(CO)C(O)C(O)C%10O)CO)C(O)C(O)C1O
0 references
Identifiers
InChI
InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3
0 references
InChIKey
OJXYLGQQFXELNY-UHFFFAOYSA-N
0 references
PubChem CID
73157303
1 reference
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
UniChem compound ID
31998946
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038992
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OJXYLGQQFXELNY-UHFFFAOYSA-N
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