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(Q105215535)
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English
Surangin C
group of stereoisomers with the chemical formula C₂₇H₃₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
456.251188872
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₆O₆
0 references
canonical SMILES
O=C1OC=2C(=C(O)C(=C(O)C2C(=C1)C(O)CC)CC=C(C)CCC=C(C)C)C(=O)C(C)CC
0 references
isomeric SMILES
CCC(C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2c(C(O)CC)cc(=O)oc12
1 reference
based on heuristic
inferred from InChI
found in taxon
Mammea suriga
1 reference
stated in
Surangin c, a coumarin from mammea longifolia
Identifiers
InChI
InChI=1S/C27H36O6/c1-7-17(6)24(30)23-26(32)18(13-12-16(5)11-9-10-15(3)4)25(31)22-19(20(28)8-2)14-21(29)33-27(22)23/h10,12,14,17,20,28,31-32H,7-9,11,13H2,1-6H3/b16-12+
0 references
InChIKey
PVNISOOZUQFLJH-FOWTUZBSSA-N
0 references
PubChem CID
5386468
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
27224357
1 reference
stated in
UniChem
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