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(Q104251033)
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English
[9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
group of stereoisomers with the chemical formula C₂₃H₂₂O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
410.136553044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₂O₇
0 references
canonical SMILES
O=C1OC2C3C(C(=O)C=C3CO)=C(C)CC(OC(=O)CC4=CC=C(O)C=C4)C2C1=C
0 references
found in taxon
Cichorium intybus
2 references
stated in
Sesquiterpenes from the roots of Cichorium endivia
stated in
Antimalarial activity of lactucin and lactucopicrin: sesquiterpene lactones isolated from Cichorium intybus L
Cichorium endivia
1 reference
stated in
Sesquiterpenoids and phenolics from roots of Cichorium endivia var. crispum.
Cichorium pumilum
1 reference
stated in
Sesquiterpenes from the roots of Cichorium endivia
Identifiers
InChI
InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3
0 references
InChIKey
UMVSOHBRAQTGQI-UHFFFAOYSA-N
0 references
PubChem CID
3482908
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32016868
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035828
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UMVSOHBRAQTGQI-UHFFFAOYSA-N
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