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(Q104403356)
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8-epi-Grosheimin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Grossheimin
1 reference
based on heuristic
inferred from SMILES
(3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione
1 reference
based on heuristic
inferred from SMILES
mass
262.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
grosheimin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR)-3,6-Dimethylene-4alpha-hydroxy-9beta-methyl-3abeta,5,6,6abeta,7,9,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₄
0 references
canonical SMILES
O=C1OC2C(C1=C)C(O)CC(=C)C3CC(=O)C(C)C23
0 references
isomeric SMILES
C=C1C[C@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@H]2[C@@H]1CC(=O)[C@@H]2C
0 references
found in taxon
Cynara scolymus
1 reference
stated in
Grosulfeimin and New Related Guaianolides from Cynara Scolymus L
Crepis mollis
1 reference
stated in
Sesquiterpenoids and phenolics from Crepis mollis
Cynara cardunculus
1 reference
stated in
Grosulfeimin and New Related Guaianolides from Cynara Scolymus L
Identifiers
InChI
InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1
0 references
InChIKey
YGMIBVIKXJJQQJ-MACDPZHXSA-N
0 references
PubChem CID
25241879
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YGMIBVIKXJJQQJ-MACDPZHXSA-N
UniChem compound ID
32315886
1 reference
stated in
UniChem
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