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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > anthocyanidin glycoside > pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside)
... > 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 > pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside)
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanidin cation > anthocyanidin glycoside > pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside)
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside)
... > 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 > pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside)

Preferred term

pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside)  

Type

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

Broader concept

charge

  • +1

formula

  • C40H45O21

inchi

  • InChI=1S/C40H44O21/c1-15-27(44)30(47)33(50)38(56-15)55-14-26-29(46)32(49)35(52)40(61-26)59-24-12-21-22(43)10-20(11-23(21)58-36(24)16-2-6-18(41)7-3-16)57-39-34(51)31(48)28(45)25(60-39)13-54-37(53)17-4-8-19(42)9-5-17/h2-12,15,25-35,38-40,44-52H,13-14H2,1H3,(H2-,41,42,43,53)/p+1/t15?,25?,26?,27-,28+,29+,30?,31-,32-,33-,34?,35?,38+,39+,40+/m0/s1

inchikey

  • ITPPMHAGKJUWHT-XAZRYUQHSA-O

mass

  • 861.778

monoisotopicmass

  • 861.24478

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3C([O+]=C2C4=CC=C(O)C=C4)=CC(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C6=CC=C(O)C=C6)=CC3O)CO[C@@H]7OC([C@H](O)C(O)[C@@H]7O)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromenylium-7-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169881

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