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(Q104957017)
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English
tussilagone
group of stereoisomers
tussilagone (unspecified stereochemistry)
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Statements
instance of
group of stereoisomers
0 references
subclass of
oplopane sesquiterpenoid
1 reference
inferred from
oplopane sesquiterpenoid
mass
390.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₄O₅
0 references
canonical SMILES
O=C(OC1C(=C)C2CC(=O)C(C(OC(=O)C)C)C2C(C1)C(C)C)C=C(C)CC
0 references
isomeric SMILES
C=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2C1CC(=O)C2C(C)OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+
0 references
InChIKey
CFUPNMDNSQIWBB-UKTHLTGXSA-N
0 references
PubChem CID
13919184
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CFUPNMDNSQIWBB-UKTHLTGXSA-N
UniChem compound ID
32016748
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0040953
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CFUPNMDNSQIWBB-UKTHLTGXSA-N
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