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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 > carboxypyranomalvidin 3-glucoside
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanin > carboxypyranomalvidin 3-glucoside
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanin > carboxypyranomalvidin 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 > carboxypyranomalvidin 3-glucoside

Preferred term

carboxypyranomalvidin 3-glucoside  

Type

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

Broader concept

charge

  • +1

formula

  • C26H25O14

inchi

  • InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)30)23-24(40-26-22(33)21(32)20(31)16(8-28)39-26)17-11(7-27)25(34)38-13-6-10(29)5-12(37-23)18(13)17/h3-7,16,20-22,26,28,30-34H,8H2,1-2H3/p+1/t16-,20-,21+,22-,26+/m1/s1

inchikey

  • HSMQGFKDKCAJDR-DMRYIZGCSA-O

mass

  • 561.471

monoisotopicmass

  • 561.12388

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(O)=C3C=O)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147424

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