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(Q104991386)
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English
Araliasaponin I
group of stereoisomers with the chemical formula C₄₇H₇₆O₁₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
928.503165592
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₇H₇₆O₁₈
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O
0 references
found in taxon
Aralia decaisneana
1 reference
stated in
Araliasaponins I-XI, triterpene saponins from the roots of Aralia decaisneana
Identifiers
InChI
InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3
0 references
InChIKey
DYJBTUINEBYYQT-UHFFFAOYSA-N
0 references
PubChem CID
85263199
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DYJBTUINEBYYQT-UHFFFAOYSA-N
ChEBI ID
185870
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3
UniChem compound ID
32022306
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR310671
1 reference
InChIKey
DYJBTUINEBYYQT-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0036476
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DYJBTUINEBYYQT-UHFFFAOYSA-N
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