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(Q105182382)
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English
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,8-dihydroxy-6-methylanthracene-9,10-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
biogenic anthraquinones
0 references
mass
390.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₆O₄
0 references
canonical SMILES
O=C1C2=CC=C(C(O)=C2C(=O)C3=C(O)C=C(C=C13)C)CC=C(C)CCC=C(C)C
0 references
isomeric SMILES
CC(C)=CCC/C(C)=C/Cc1ccc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Cratoxylum arborescens
1 reference
stated in
Cytotoxic constituents from Cratoxylum arborescens.
Identifiers
InChI
InChI=1S/C25H26O4/c1-14(2)6-5-7-15(3)8-9-17-10-11-18-22(23(17)27)25(29)21-19(24(18)28)12-16(4)13-20(21)26/h6,8,10-13,26-27H,5,7,9H2,1-4H3/b15-8+
0 references
InChIKey
NNYGRKRBQXGQGY-OVCLIPMQSA-N
0 references
PubChem CID
11406643
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NNYGRKRBQXGQGY-OVCLIPMQSA-N
UniChem compound ID
33039038
1 reference
stated in
UniChem
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