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(Q104994843)
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English
FGDSRWDLQGXPJH-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₅₄H₈₆O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
1,038.576330532
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₄H₈₆O₁₉
0 references
canonical SMILES
O=C(OC1C(OC(=O)C)C2(CO)C(O)CC3(C(=CCC4C5(C)CCC(OC6OCC(OC7OC(C)C(O)C(O)C7O)C(O)C6OC8OC(CO)C(O)C(O)C8)C(C)(C)C5CCC43C)C2CC1(C)C)C)C(=CC)C
0 references
found in taxon
Maesa lanceolata
1 reference
stated in
Triterpene saponins of Maesa lanceolata leaves
Identifiers
InChI
InChI=1S/C54H86O19/c1-12-25(2)46(65)73-44-45(68-27(4)57)54(24-56)29(20-49(44,5)6)28-13-14-34-51(9)17-16-36(50(7,8)33(51)15-18-52(34,10)53(28,11)21-35(54)59)71-48-43(72-37-19-30(58)39(61)31(22-55)69-37)40(62)32(23-66-48)70-47-42(64)41(63)38(60)26(3)67-47/h12-13,26,29-45,47-48,55-56,58-64H,14-24H2,1-11H3
0 references
InChIKey
FGDSRWDLQGXPJH-UHFFFAOYSA-N
0 references
PubChem CID
163091023
1 reference
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
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