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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 > malvidin 3-glucoside-4-vinylguaiacol
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanin > malvidin 3-glucoside-4-vinylguaiacol
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanin > malvidin 3-glucoside-4-vinylguaiacol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > anthocyanin > malvidin 3-glucoside-4-vinylguaiacol

Preferred term

malvidin 3-glucoside-4-vinylguaiacol  

Type

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

Broader concept

charge

  • +1

formula

  • C32H31O14

inchi

  • InChI=1S/C32H30O14/c1-40-19-6-13(4-5-17(19)35)18-11-16-25-20(43-18)9-15(34)10-21(25)44-30(14-7-22(41-2)26(36)23(8-14)42-3)31(16)46-32-29(39)28(38)27(37)24(12-33)45-32/h4-11,24,27-29,32-33,35-39H,12H2,1-3H3/p+1/t24-,27-,28?,29?,32+/m1/s1

inchikey

  • NFPPBIREZBPVRP-RVPLXSFISA-O

mass

  • 639.585

monoisotopicmass

  • 639.17083

smiles

  • O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC(=C3)C6=CC(OC)=C(O)C=C6)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147430

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