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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 > malvidin 3-p-coumarylrutinoside
... > 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 > malvidin 3-p-coumarylrutinoside
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanidin cation > anthocyanidin glycoside > malvidin 3-p-coumarylrutinoside
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > malvidin 3-p-coumarylrutinoside
... > 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 > malvidin 3-p-coumarylrutinoside

Preferred term

malvidin 3-p-coumarylrutinoside  

Type

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

Broader concept

charge

  • +1

formula

  • C38H41O18

inchi

  • InChI=1S/C38H40O18/c1-16-35(56-28(42)9-6-17-4-7-19(39)8-5-17)32(46)34(48)37(52-16)51-15-27-30(44)31(45)33(47)38(55-27)54-26-14-21-22(41)12-20(40)13-23(21)53-36(26)18-10-24(49-2)29(43)25(11-18)50-3/h4-14,16,27,30-35,37-38,44-48H,15H2,1-3H3,(H3-,39,40,41,42,43)/p+1/t16?,27?,30-,31?,32-,33?,34?,35+,37-,38-/m1/s1

inchikey

  • FAUFNPIYYOOODX-OPFBORMCSA-O

mass

  • 785.727

monoisotopicmass

  • 785.22874

smiles

  • O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)CO[C@@H]5OC([C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)C5O)C

subset

  • 2_STAR

synonym EXACT

  • [(3R,4R,6R)-6-[[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185798

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