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(Q105161515)
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English
Acetylsalvipisone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic naphthochinone
0 references
mass
354.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₆O₄
0 references
canonical SMILES
O=C1C(OC(=O)C)=C(C(=O)C2=CC=C(C(=C12)CCCC(=C)C)C)C(C)C
0 references
found in taxon
Salvia sclarea
3 references
stated in
Diterpenoids from the roots of Salvia sclarea
stated in
Diterpenoids from the roots of Salvia sclarea
stated in
A rearranged abietane diterpenoid from the root of Salvia aethiopis
Identifiers
InChI
InChI=1S/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3
0 references
InChIKey
MCXIDKIJSQDYCT-UHFFFAOYSA-N
0 references
PubChem CID
102066549
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
172580
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3
UniChem compound ID
32005592
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0031877
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MCXIDKIJSQDYCT-UHFFFAOYSA-N
KNApSAcK ID
C00055171
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MCXIDKIJSQDYCT-UHFFFAOYSA-N
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