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(Q105007412)
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English
Pentandranoic acid A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl)-3-methylidene-4-oxopentanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=CC1=C(C)C2(C)CCC(C)C(C)(CC(=O)C(=C)CC(=O)O)C2C1
0 references
isomeric SMILES
C=C(CC(=O)O)C(=O)C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C(C=O)C[C@H]12
0 references
found in taxon
Callicarpa pentandra
1 reference
stated in
Four new clerodane diterpenoids from Callicarpa pentandra
Identifiers
InChI
InChI=1S/C20H28O4/c1-12(8-18(23)24)16(22)10-20(5)13(2)6-7-19(4)14(3)15(11-21)9-17(19)20/h11,13,17H,1,6-10H2,2-5H3,(H,23,24)/t13-,17+,19+,20+/m1/s1
0 references
InChIKey
GEYOTLVJLLCPMD-IKTSWFPUSA-N
0 references
PubChem CID
10688029
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GEYOTLVJLLCPMD-IKTSWFPUSA-N
UniChem compound ID
32603155
1 reference
stated in
UniChem
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