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(Q76100275)
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English
(1R,2R,5S,8S,9S,10S,11S)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
C20-gibberellin
1 reference
based on heuristic
inferred from SMILES
mass
346.1780239319999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
gibberellin A44
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
C=C1CC23CC1(O)CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)COC2=O
0 references
Identifiers
InChI
InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17-,18+,19-,20-/m0/s1
0 references
InChIKey
KSBJAONOPKRVRR-LTTRRGSQSA-N
0 references
PubChem CID
443756
1 reference
matched by identifier from
InChIKey
InChIKey
KSBJAONOPKRVRR-LTTRRGSQSA-N
UniChem compound ID
48658231
1 reference
stated in
UniChem
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