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(Q105281492)
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English
6,7-dihydroxy-8-isopropyl-2-methyl-5-[(E)-[(3-methylbutyl)imino]methyl]naphthalene-1,4-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cadinane sesquiterpenoid
0 references
biogenic naphthochinone
0 references
mass
343.17835828
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₅NO₄
0 references
canonical SMILES
O=C1C=C(C(=O)C2=C1C(C=NCCC(C)C)=C(O)C(O)=C2C(C)C)C
0 references
isomeric SMILES
CC1=CC(=O)c2c(/C=N/CCC(C)C)c(O)c(O)c(C(C)C)c2C1=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Gossypium hirsutum
1 reference
stated in
Sesquiterpenoid aldehyde quinones and derivatives in pigment glands of Gossypium
Identifiers
InChI
InChI=1S/C20H25NO4/c1-10(2)6-7-21-9-13-16-14(22)8-12(5)18(23)17(16)15(11(3)4)20(25)19(13)24/h8-11,24-25H,6-7H2,1-5H3/b21-9+
0 references
InChIKey
UYIGQGYXLRGUGA-ZVBGSRNCSA-N
0 references
ChEBI ID
174631
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H25NO4/c1-10(2)6-7-21-9-13-16-14(22)8-12(5)18(23)17(16)15(11(3)4)20(25)19(13)24/h8-11,24-25H,6-7H2,1-5H3/b21-9+
Human Metabolome Database ID
HMDB0033266
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UYIGQGYXLRGUGA-ZVBGSRNCSA-N
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