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(Q105280349)
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English
Ginsenoside III
group of stereoisomers with the chemical formula C₄₈H₈₀O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
protostane/dammarane triterpenoid
1 reference
inferred from
protostane/dammarane triterpenoid
mass
960.52938034
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₈H₈₀O₁₉
0 references
canonical SMILES
O=C(C(=C)C)CCC(OC1OC(CO)C(O)C(O)C1O)(C)C2CCC3(C)C2C(O)CC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(C)(C)C5CCC43C
0 references
found in taxon
Panax ginseng
1 reference
stated in
Studies on dammarane-type saponins in the flower-buds of Panax ginseng C.A. Meyer
Identifiers
InChI
InChI=1S/C48H80O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22,24-43,49-51,53-61H,1,9-20H2,2-8H3
0 references
InChIKey
UWGVFBVJCVDUPT-UHFFFAOYSA-N
0 references
PubChem CID
131751552
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
UWGVFBVJCVDUPT-UHFFFAOYSA-N
ChEBI ID
191618
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C48H80O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22,24-43,49-51,53-61H,1,9-20H2,2-8H3
UniChem compound ID
31996824
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034351
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UWGVFBVJCVDUPT-UHFFFAOYSA-N
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