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(Q105176497)
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English
Soyasapogenol B 3-O-b-D-glucuronide
group of stereoisomers with the chemical formula C₃₆H₅₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
634.408083436
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₅₈O₉
0 references
canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CC(O)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(O)C(O)C1O
0 references
Identifiers
InChI
InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)
0 references
InChIKey
NARQRJFIZNOSJV-UHFFFAOYSA-N
0 references
PubChem CID
13632903
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NARQRJFIZNOSJV-UHFFFAOYSA-N
ChEBI ID
176267
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)
UniChem compound ID
32007957
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039329
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NARQRJFIZNOSJV-UHFFFAOYSA-N
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