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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > anthocyanidin glycoside > peonidin acetyl 3,5-diglucoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthocyanidin cation > anthocyanidin glycoside > peonidin acetyl 3,5-diglucoside
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanidin cation > anthocyanidin glycoside > peonidin acetyl 3,5-diglucoside
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > peonidin acetyl 3,5-diglucoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > peonidin acetyl 3,5-diglucoside

Preferred term

peonidin acetyl 3,5-diglucoside  

Type

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

Broader concept

charge

  • +1

formula

  • C30H35O17

inchi

  • InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)30(47-21)45-19-8-14-16(43-28(19)12-3-4-15(34)18(5-12)41-2)6-13(33)7-17(14)44-29-26(39)24(37)22(35)20(9-31)46-29/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20?,21?,22-,23-,24+,25?,26?,27?,29-,30-/m1/s1

inchikey

  • KOJLDSZARRTMAS-AUEIVSKPSA-O

mass

  • 667.592

monoisotopicmass

  • 667.18688

smiles

  • O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C3C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC(OC)=C(O)C=C5)COC(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188132

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