Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q76303599)
Watch
English
7-methoxy-6-[(E)-3-oxobut-1-enyl]chromen-2-one
chemical compound
In more languages
edit
Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
244.073558864
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₂O₄
0 references
canonical SMILES
O=C1OC=2C=C(OC)C(C=CC(=O)C)=CC2C=C1
0 references
isomeric SMILES
CC(=O)/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC
0 references
found in taxon
Citrus grandis
1 reference
stated in
Alkaloids and coumarins from stem bark of Citrus grandis
pomelo
1 reference
stated in
Alkaloids and coumarins from stem bark of Citrus grandis
Ruta graveolen
2 references
stated in
Chlorhaltige acridon-alkaloide aus Ruta graveolens
stated in
Naphthoherniarin: an unusual coumarin derivative from Ruta graveolens
Boenninghausenia albiflora
1 reference
stated in
Minor coumarins of Boenninghausenia albiflora
Identifiers
InChI
InChI=1S/C14H12O4/c1-9(15)3-4-10-7-11-5-6-14(16)18-13(11)8-12(10)17-2/h3-8H,1-2H3/b4-3+
0 references
InChIKey
GSVYFPMXLIFUDJ-ONEGZZNKSA-N
0 references
CAS Registry Number
35897-95-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5321539
1 reference
matched by identifier from
InChIKey
InChIKey
GSVYFPMXLIFUDJ-ONEGZZNKSA-N
ChEBI ID
174256
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H12O4/c1-9(15)3-4-10-7-11-5-6-14(16)18-13(11)8-12(10)17-2/h3-8H,1-2H3/b4-3+
UniChem compound ID
32017738
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501188696
1 reference
matched by identifier from
InChIKey
InChIKey
GSVYFPMXLIFUDJ-ONEGZZNKSA-N
Human Metabolome Database ID
HMDB0030595
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GSVYFPMXLIFUDJ-ONEGZZNKSA-N
KNApSAcK ID
C00037863
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GSVYFPMXLIFUDJ-ONEGZZNKSA-N
UNII
XNF6K5GV6B
1 reference
matched by identifier from
InChIKey
InChIKey
GSVYFPMXLIFUDJ-ONEGZZNKSA-N
Sitelinks
Wikipedia
(0 entries)
edit
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit
