Name: Clinopodic acid E
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HIT ID:HIT218832759
Cas No:
Common Name:Clinopodic acid E
IUPAC:7-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
IUPAC:7-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
InChIKey:KPKHMGUZUPELJC-UHFFFAOYSA-N

Molecular Formula:C27H22O12
Molecular Weight:538.461
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc2OC(C(Oc2c1)C(O)=O)c1ccc(O)c(O)c1
SMILES:OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc2OC(C(Oc2c1)C(O)=O)c1ccc(O)c(O)c1

Clinopodic acid E is a natural product that can be used as a reference standard. The CAS number of Clinopodic acid E is 159736-38-6.

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