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spiculoic acid A

PropertiesImageOccurences in reactions
MNX_IDMNXM108996Image of MNXM108996
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC27H36O3
charge0
mass408.26645
referencechebi:66520
InChIKeyALLQJQBDLUMIQH-UOVLAWSHSA-N
InChIInChI=1S/C27H36O3/c1-6-20-17-26(8-3,16-15-19-13-11-10-12-14-19)27(9-4,25(29)30)23-21(7-2)24(28)18(5)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22+,23-,26-,27-/m1/s1
SMILESCCC1=C[C@](/C=C/c2ccccc2)(CC)[C@@](CC)(C(=O)O)[C@H]2[C@H]1[C@@H](C)C(=O)[C@@H]2CC
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IdentifierDescription
CHEBI:66520
chebi:66520
spiculoic acid A
(1R,3R,3aS,4S,5R,7aS)-3,4,5,7-tetraethyl-1-methyl-2-oxo-5-[(E)-2-phenylethenyl]-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid