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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > reserpine
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > reserpine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > reserpine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > reserpine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > monoterpenoid indole alkaloid > yohimban alkaloid > reserpine

Preferred term

reserpine  

Type

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

Broader concept

alt_id

  • CHEBI:26531
  • CHEBI:8808

charge

  • 0

formula

  • C33H40N2O9

has_functional_parent

has_role

inchi

  • InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1

inchikey

  • QEVHRUUCFGRFIF-MDEJGZGSSA-N

mass

  • 608.67870

monoisotopicmass

  • 608.27338

smiles

  • [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2

subset

  • 3_STAR

synonym EXACT

  • methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
  • Reserpine

synonym RELATED

  • 3,4,5-trimethoxybenzoyl methyl reserpate
  • (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester
  • Apoplon
  • Reserpin
  • (-)-reserpine
  • Serpalan

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28487

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