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Chemistry, part 3

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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 > 3-/{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy/}-4,5-dihydroxybenzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 3-/{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy/}-4,5-dihydroxybenzoic 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 > 3-/{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy/}-4,5-dihydroxybenzoic 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 > 3-/{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy/}-4,5-dihydroxybenzoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 3-/{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy/}-4,5-dihydroxybenzoic acid

Preferred term

3-/{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy/}-4,5-dihydroxybenzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H14O16S

inchi

  • InChI=1S/C21H14O16S/c22-10-1-7(19(28)29)5-14(16(10)26)35-21(31)9-2-11(23)17(27)15(6-9)36-20(30)8-3-12(24)18(13(25)4-8)37-38(32,33)34/h1-6,22-27H,(H,28,29)(H,32,33,34)

inchikey

  • AKDVXNURLURCNM-UHFFFAOYSA-N

mass

  • 554.390

monoisotopicmass

  • 554.00026

smiles

  • S(OC=1C(O)=CC(=CC1O)C(OC2=CC(=CC(O)=C2O)C(OC=3C(O)=C(O)C=C(C3)C(O)=O)=O)=O)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • 3-[3-(3,5-dihydroxy-4-sulooxybenzoyl)oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180888

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