Name: Schizotenuin A
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HIT ID:HIT218832795
Cas No:
Common Name:Schizotenuin A
IUPAC:2-(5-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
IUPAC:2-(5-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
InChIKey:KROVXXIIXUFKOO-UHFFFAOYSA-N

Molecular Formula:C36H28O16
Molecular Weight:716.604
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1cc(O)c2oc(c(C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c2c1)-c1ccc(O)c(O)c1
SMILES:OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1cc(O)c2oc(c(C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c2c1)-c1ccc(O)c(O)c1

Schizotenuin A is a natural product that can be used as a reference standard. The CAS number of Schizotenuin A is 144608-09-3.

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