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(Q76423746)
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English
3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
0 references
mass
314.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₄O₆
0 references
canonical SMILES
O=C(OC=CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C(O)=C2
0 references
isomeric SMILES
C1=CC(=C(C=C1/C=C/C(=O)O/C=C/C2=CC(=C(C=C2)O)O)O)O
0 references
found in taxon
Cordia sebestena
1 reference
stated in
Sebestenoids A-D, BACE1 inhibitors from Cordia sebestena
Lavandula angustifolia
1 reference
stated in
Pigment formation by callus of Lavandula angustifolia
Orthosiphon aristatus
1 reference
stated in
Induction of rosmarinic acid accumulation in cell suspension cultures of Orthosiphon aristatus after treatment with yeast extract
Identifiers
InChI
InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+
0 references
InChIKey
GFZFUVWXGQWUGX-ZICOWINBSA-N
0 references
CAS Registry Number
99816-39-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14353342
1 reference
matched by identifier from
InChIKey
InChIKey
GFZFUVWXGQWUGX-ZICOWINBSA-N
ChEBI ID
175014
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+
UniChem compound ID
32015005
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301123701
1 reference
matched by identifier from
InChIKey
InChIKey
GFZFUVWXGQWUGX-ZICOWINBSA-N
Human Metabolome Database ID
HMDB0033146
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GFZFUVWXGQWUGX-ZICOWINBSA-N
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