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(Q105150142)
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English
Methyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-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)C3C(=CCC13O)CO
0 references
found in taxon
Lantana
1 reference
stated in
Lantana camara L. (Verbenaceae).
Thevetia neriifolia
1 reference
stated in
Thevesid, ein neues iridoidglucosid aus thevetia peruviana (pers.) K. Schum. (apocynaceae)
Cascabela thevetia
1 reference
stated in
Thevesid, ein neues iridoidglucosid aus thevetia peruviana (pers.) K. Schum. (apocynaceae)
Thevetia peruviana
1 reference
stated in
Thevesid, ein neues iridoidglucosid aus thevetia peruviana (pers.) K. Schum. (apocynaceae)
Identifiers
InChI
InChI=1S/C17H24O11/c1-25-14(23)8-6-26-15(10-7(4-18)2-3-17(8,10)24)28-16-13(22)12(21)11(20)9(5-19)27-16/h2,6,9-13,15-16,18-22,24H,3-5H2,1H3
0 references
InChIKey
LDBMLOLBWUOZGG-UHFFFAOYSA-N
0 references
PubChem CID
12443420
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LDBMLOLBWUOZGG-UHFFFAOYSA-N
ChEBI ID
182014
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H24O11/c1-25-14(23)8-6-26-15(10-7(4-18)2-3-17(8,10)24)28-16-13(22)12(21)11(20)9(5-19)27-16/h2,6,9-13,15-16,18-22,24H,3-5H2,1H3
SureChEMBL ID
SCHEMBL26597978
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LDBMLOLBWUOZGG-UHFFFAOYSA-N
UniChem compound ID
48453756
1 reference
stated in
UniChem
Probes And Drugs ID
PD100300
0 references
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