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(Q82950059)
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English
4a,7b,9-Trihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
tigliane diterpenoid
0 references
mass
422.19406792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₈
0 references
canonical SMILES
O=C(OC12C(O)C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(=CC43)C)C1C2(C)CO)C
0 references
found in taxon
Vernicia fordii
1 reference
stated in
The Toxic Constituent of the Fruits of Aleurites fordii
Identifiers
InChI
InChI=1S/C22H30O8/c1-10-5-15-20(28,17(10)26)7-13(8-23)6-14-16-19(4,9-24)22(16,30-12(3)25)18(27)11(2)21(14,15)29/h5-6,11,14-16,18,23-24,27-29H,7-9H2,1-4H3
0 references
InChIKey
ZDRYTMIJYWULNF-UHFFFAOYSA-N
0 references
CAS Registry Number
52998-85-3
0 references
PubChem CID
187855
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZDRYTMIJYWULNF-UHFFFAOYSA-N
UniChem compound ID
42797952
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00967462
1 reference
matched by identifier from
InChIKey
InChIKey
ZDRYTMIJYWULNF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID401395062
0 references
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