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(Q99537752)
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English
merochloropheic acid
chemical compound
merochlorophaeic acid
3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2,4-dihydroxy-6-pentylbenzoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Merochloropheic acid.svg
300 × 150; 23 KB
0 references
mass
446.1940679199998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₀O₈
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canonical SMILES
CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)OC)CCC)O
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Identifiers
InChI
InChI=1S/C24H30O8/c1-5-7-8-10-15-12-17(25)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-18(19)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
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InChIKey
AAKHGLJWUOZNTQ-UHFFFAOYSA-N
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CAS Registry Number
2879-80-3
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ChemSpider ID
63001362
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PubChem CID
71436664
1 reference
matched by identifier from
InChIKey
InChIKey
AAKHGLJWUOZNTQ-UHFFFAOYSA-N
ChEBI ID
144270
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H30O8/c1-5-7-8-10-15-12-17(25)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-18(19)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
UniChem compound ID
51718616
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001336850
1 reference
matched by identifier from
InChIKey
InChIKey
AAKHGLJWUOZNTQ-UHFFFAOYSA-N
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Merochlorophaeic acid
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