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(Q104984210)
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English
mezerein
group of stereoisomers with the chemical formula C₃₈H₃₈O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
daphnane diterpenoid
1 reference
inferred from
daphnane diterpenoid
mass
654.7038
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₃₈O₁₀
0 references
canonical SMILES
O=C(OC1C(C)C23OC4(OC(C3C5OC5(CO)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=7C=CC=CC7)C=CC=CC=8C=CC=CC8
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Identifiers
InChI
InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
0 references
InChIKey
DLEDLHFNQDHEOJ-UHFFFAOYSA-N
0 references
PubChem CID
4179
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DLEDLHFNQDHEOJ-UHFFFAOYSA-N
UniChem compound ID
53251624
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0254694
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DLEDLHFNQDHEOJ-UHFFFAOYSA-N
Probes And Drugs ID
PD093919
0 references
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