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(Q82911485)
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Zizyphoiside D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
protostane/dammarane triterpenoid
0 references
mass
954.518815656
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₉H₇₈O₁₈
0 references
canonical SMILES
O=C(OC1C(O)C(O)C(OC1OC2C(O)C(OC(CO)C2O)OC3C(O)COC(OC4CCC5(C)C(CCC6(C)C5CCC7C8C(O)(C)CC(OC98OCC76C9)C=C(C)C)C4(C)C)C3O)C)C
0 references
found in taxon
Alphitonia zizyphoides
1 reference
stated in
Structure elucidation of three triterpenoid saponins from Alphitonia zizyphoides using 2D NMR techniques
Identifiers
InChI
InChI=1S/C49H78O18/c1-22(2)16-25-17-47(9,58)40-26-10-11-30-45(7)14-13-31(44(5,6)29(45)12-15-46(30,8)48(26)20-49(40,67-25)60-21-48)64-41-35(56)37(27(52)19-59-41)65-42-36(57)38(33(54)28(18-50)63-42)66-43-39(62-24(4)51)34(55)32(53)23(3)61-43/h16,23,25-43,50,52-58H,10-15,17-21H2,1-9H3
0 references
InChIKey
VGQMQJJZSGPGOI-UHFFFAOYSA-N
0 references
CAS Registry Number
156408-68-3
0 references
PubChem CID
190838
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
VGQMQJJZSGPGOI-UHFFFAOYSA-N
UniChem compound ID
43723664
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90935438
1 reference
matched by identifier from
InChIKey
InChIKey
VGQMQJJZSGPGOI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301364068
0 references
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