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English
Calenduloside H
group of stereoisomers with the chemical formula C₄₈H₇₆O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
956.498080212
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₈H₇₆O₁₉
0 references
canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1O
0 references
found in taxon
Calendula officinalis
1 reference
stated in
Structures of calendulosides G and H from the roots of Calendula officinalis
Identifiers
InChI
InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)
0 references
InChIKey
QZMAEZWZCGBZFK-UHFFFAOYSA-N
0 references
PubChem CID
13969096
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
QZMAEZWZCGBZFK-UHFFFAOYSA-N
UniChem compound ID
32022864
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0031026
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QZMAEZWZCGBZFK-UHFFFAOYSA-N
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