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(Q105126052)
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English
ent-8(17),13(16),14-Labdatrien-18-oic acid
group of stereoisomers with the chemical formula C₂₀H₃₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C(C(=C)CCC12)CCC(=C)C=C
0 references
found in taxon
Hymenaea courbaril var. stilbocarpa
1 reference
stated in
Clerodane-type diterpenes from the seed pods of Hymenaea courbaril var. stilbocarpa
Identifiers
InChI
InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)
0 references
InChIKey
JEGUVXRNDRXUDN-UHFFFAOYSA-N
0 references
PubChem CID
72780956
2 references
stated in
PubChem
retrieved
4 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JEGUVXRNDRXUDN-UHFFFAOYSA-N
ChEBI ID
170102
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)
UniChem compound ID
32003734
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039486
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JEGUVXRNDRXUDN-UHFFFAOYSA-N
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