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(Q104402888)
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English
[4a,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₄H₂₈O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
508.158076336
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₈O₁₂
0 references
canonical SMILES
O=C(OCC1=CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12)C=CC4=CC=C(O)C=C4
0 references
found in taxon
Utricularia australis
1 reference
stated in
Iridoids and verbascoside in callitrichaceae, hippuridaceae and lentibulariaceae
Penstemon acuminatus
1 reference
stated in
Iridoids and other glucosides from Penstemon acuminatus
Vitex agnus-castus
1 reference
stated in
Q94517493
Vitex rotundifolia
1 reference
stated in
Iridoid and phenolic glucoside from Vitex rotundifolia
Identifiers
InChI
InChI=1S/C24H28O12/c25-10-15-19(29)20(30)21(31)23(35-15)36-22-18-13(9-16(27)24(18,32)7-8-33-22)11-34-17(28)6-3-12-1-4-14(26)5-2-12/h1-9,15-16,18-23,25-27,29-32H,10-11H2
0 references
InChIKey
SSFSGTBTPVWUPA-UHFFFAOYSA-N
0 references
PubChem CID
162916671
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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