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(Q76423572)
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Citrubuntin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
242.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄O₃
0 references
canonical SMILES
O=C1OC=2C=C(OC)C(C=CC(=C)C)=CC2C=C1
0 references
isomeric SMILES
CC(=C)/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC
0 references
found in taxon
Citrus grandis
2 references
stated in
Alkaloids and coumarins from stem bark of Citrus grandis
stated in
Alkaloids and coumarins of Citrus grandis
pomelo
2 references
stated in
Alkaloids and coumarins from stem bark of Citrus grandis
stated in
Alkaloids and coumarins of Citrus grandis
Ruta graveolen
1 reference
stated in
High-resolution gas-chromatographic analysis of the secondary metabolites obtained by subcritical-fluid extraction from Colombian rue (Ruta graveolens L.).
Identifiers
InChI
InChI=1S/C15H14O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4-9H,1H2,2-3H3/b5-4+
0 references
InChIKey
GHVNFLHFOPJJNP-SNAWJCMRSA-N
0 references
CAS Registry Number
74794-83-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14077807
1 reference
matched by identifier from
InChIKey
InChIKey
GHVNFLHFOPJJNP-SNAWJCMRSA-N
ChEBI ID
173747
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H14O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4-9H,1H2,2-3H3/b5-4+
UniChem compound ID
32024136
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401161457
1 reference
matched by identifier from
InChIKey
InChIKey
GHVNFLHFOPJJNP-SNAWJCMRSA-N
Human Metabolome Database ID
HMDB0039146
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHVNFLHFOPJJNP-SNAWJCMRSA-N
KNApSAcK ID
C00019813
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHVNFLHFOPJJNP-SNAWJCMRSA-N
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