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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > 2-[(/{3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl/}(hydroxy)methylidene)amino]acetic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 2-[(/{3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl/}(hydroxy)methylidene)amino]acetic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > 2-[(/{3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl/}(hydroxy)methylidene)amino]acetic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > 2-[(/{3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl/}(hydroxy)methylidene)amino]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 2-[(/{3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl/}(hydroxy)methylidene)amino]acetic acid

Preferred term

2-[(/{3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl/}(hydroxy)methylidene)amino]acetic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H17NO15

inchi

  • InChI=1S/C23H17NO15/c25-10-1-7(2-11(26)17(10)32)22(36)38-14-4-8(3-12(27)18(14)33)23(37)39-20-16(31)9(5-13(28)19(20)34)21(35)24-6-15(29)30/h1-5,25-28,31-34H,6H2,(H,24,35)(H,29,30)

inchikey

  • CAHKHOKBBCCQIM-UHFFFAOYSA-N

mass

  • 547.381

monoisotopicmass

  • 547.05982

smiles

  • O(C1=C(O)C(=CC(O)=C1O)C(=O)NCC(O)=O)C(=O)C=2C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C(O)C2

subset

  • 2_STAR

synonym EXACT

  • 2-[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-2,4,5-trihydroxybenzoyl]amino]acetic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169228

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