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(Q104992733)
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English
2-{2-[(1S,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-2-yl]ethyl}-6-butanoyl-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-butanoyl-3,5-dihydroxy-6-{2-[1-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-2-yl]ethyl}-4,4-dimethylcyclohexa-2,5-dien-1-one
1 reference
based on heuristic
inferred from SMILES
mass
458.303224444
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₂O₅
0 references
canonical SMILES
O=C1C(C(=O)CCC)=C(O)C(C(O)=C1CCC2=CCC3C(C)(C)CCCC3(C)C2CO)(C)C
0 references
isomeric SMILES
CCCC(=O)C1=C(O)C(C)(C)C(O)=C(CCC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CO)C1=O
0 references
found in taxon
Dryopteris fragrans
2 references
stated in
Ichthyotoxic phloroglucinol derivatives from Dryopteris fragrans and their anti-tumor promoting activity
stated in
Dryofragin and Aspidin PB, Piscicidal Components from Dryopterisfragrans
Identifiers
InChI
InChI=1S/C28H42O5/c1-7-9-20(30)22-23(31)18(24(32)27(4,5)25(22)33)12-10-17-11-13-21-26(2,3)14-8-15-28(21,6)19(17)16-29/h11,19,21,29,32-33H,7-10,12-16H2,1-6H3/t19-,21-,28+/m0/s1
0 references
InChIKey
FBMMMZXEBGFGTG-BDHWGLMFSA-N
0 references
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