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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > biaryl > bipyridines > orellanine-4,4'-diglucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > biaryl > bipyridines > orellanine-4,4'-diglucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > biaryl > bipyridines > orellanine-4,4'-diglucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > bipyridines > orellanine-4,4'-diglucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > bipyridines > orellanine-4,4'-diglucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > bipyridines > orellanine-4,4'-diglucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > bipyridines > orellanine-4,4'-diglucopyranoside

Preferred term

orellanine-4,4'-diglucopyranoside  

Type

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

Broader concept

charge

  • 0

formula

  • C22H28N2O16

inchi

  • InChI=1S/C22H28N2O16/c25-5-9-15(29)17(31)19(33)21(39-9)37-7-1-3-23(35)11(13(7)27)12-14(28)8(2-4-24(12)36)38-22-20(34)18(32)16(30)10(6-26)40-22/h1-4,9-10,15-22,25-34H,5-6H2

inchikey

  • CUHMKQWODSWBAG-UHFFFAOYSA-N

mass

  • 576.464

monoisotopicmass

  • 576.14388

smiles

  • O1C(OC2=C(O)C(=[N+]([O-])C=C2)C3=[N+]([O-])C=CC(=C3O)OC4OC(C(O)C(C4O)O)CO)C(O)C(O)C(C1CO)O

subset

  • 2_STAR

synonym EXACT

  • 2-[3-hydroxy-2-[3-hydroxy-1-oxido-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyridin-1-ium-2-yl]-1-oxidopyridin-1-ium-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218621

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