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Chemistry, part 2

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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 > organic hydroxy compound > phenols > polyphenol > tannin > (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > tannin > (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
... > 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 > phenols > polyphenol > tannin > (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Preferred term

(3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C33H48O10

inchi

  • InChI=1S/C33H48O10/c1-3-5-7-9-11-13-21-15-23(35)18-25(16-21)41-32(40)28-22(14-12-10-8-6-4-2)17-24(36)19-26(28)42-33-31(39)30(38)29(37)27(20-34)43-33/h15-19,27,29-31,33-39H,3-14,20H2,1-2H3/t27-,29+,30+,31-,33-/m1/s1

inchikey

  • BOTABODRPOJDQC-FLHDZCCQSA-N

mass

  • 604.737

monoisotopicmass

  • 604.32475

smiles

  • O=C(OC1=CC(O)=CC(=C1)CCCCCCC)C2=C(O[C@@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)CO)C=C(O)C=C2CCCCCCC

subset

  • 2_STAR

synonym EXACT

  • (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199649

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