Schizotenuin F

Base Information

• Chemical Name: Schizotenuin F
• CAS No.: 127498-36-6
• Molecular Formula: C28H24 O12
• Metabolomics Workbench ID: 46614

Synonyms:Schizotenuin F;Methyl melitrate A;CHEBI:169046;3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-[(Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]oxypropanoic acid;3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(4-{[(1Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy}-3-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

Chemical Property of Schizotenuin F

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 552.12677620
• Heavy Atom Count: 40
• Complexity: 932

Purity/Quality:

99% ^*data from raw suppliers

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Useful:

• Canonical SMILES: COC(=O)C(=CC1=CC(=C(C=C1)O)O)OC2=C(C=C(C=C2)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O
• Isomeric SMILES: COC(=O)/C(=C/C1=CC(=C(C=C1)O)O)/OC2=C(C=C(C=C2)/C=C/C(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O

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