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(Q76303555)
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English
(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
206.0579088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₀O₄
0 references
canonical SMILES
O=CC=CC1=CC(OC)=C2OCOC2=C1
0 references
isomeric SMILES
COC1=CC(=CC2=C1OCO2)/C=C/C=O
0 references
found in taxon
Cassia grandis
1 reference
stated in
A new C6-C3 compound from Cassia grandis
Identifiers
InChI
InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+
0 references
InChIKey
IQMBSQBMNIILBR-NSCUHMNNSA-N
0 references
CAS Registry Number
74683-19-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5319472
1 reference
matched by identifier from
InChIKey
InChIKey
IQMBSQBMNIILBR-NSCUHMNNSA-N
ChEBI ID
174027
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+
UniChem compound ID
31997576
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001228770
1 reference
matched by identifier from
InChIKey
InChIKey
IQMBSQBMNIILBR-NSCUHMNNSA-N
Human Metabolome Database ID
HMDB0035303
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IQMBSQBMNIILBR-NSCUHMNNSA-N
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