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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthocyanin > pyranomalvidin 3-glucoside
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanin > pyranomalvidin 3-glucoside
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanin > pyranomalvidin 3-glucoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > anthocyanin > pyranomalvidin 3-glucoside

Preferred term

pyranomalvidin 3-glucoside  

Type

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

Broader concept

charge

  • +1

formula

  • C25H25O12

inchi

  • InChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,28-31H,9H2,1-2H3/p+1/t17-,20-,21+,22-,25+/m1/s1

inchikey

  • MQBZYHDAWXXFLB-FHBCLOHASA-O

mass

  • 517.462

monoisotopicmass

  • 517.13405

smiles

  • O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC=C3)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147426

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