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(Q104201043)
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English
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₁₇H₂₄O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
404.131861588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄O₁₁
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO
0 references
found in taxon
Scleromitrion diffusum
1 reference
stated in
Biologically Active Iridoids from Hedyotis diffusa
Gardenia jasminoides
1 reference
stated in
Two new iridoid glucosides from Gardenia jasminoides fruits
Identifiers
InChI
InChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3
0 references
InChIKey
XJMPAUZQVRGFRE-UHFFFAOYSA-N
0 references
PubChem CID
100058
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XJMPAUZQVRGFRE-UHFFFAOYSA-N
UniChem compound ID
766427
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0252642
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XJMPAUZQVRGFRE-UHFFFAOYSA-N
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