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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > 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 acid > monocarboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > 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 acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy carboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy carboxylic acid > hydroxy monocarboxylic acid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 2-o-e-p-coumaroyl alphitolic acid
... > 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 > phenylpropanoid > cinnamate ester > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > cinnamate ester > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > pentacyclic triterpenoid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > pentacyclic triterpenoid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 2-o-e-p-coumaroyl alphitolic acid
... > 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 polycyclic compound > pentacyclic triterpenoid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 2-o-e-p-coumaroyl alphitolic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 2-o-e-p-coumaroyl alphitolic acid

Preferred term

2-o-e-p-coumaroyl alphitolic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C39H54O6

has_parent_hydride

has_role

inchi

  • InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30+,32+,33-,36-,37+,38+,39-/m0/s1

inchikey

  • LCHMSLHVXVQJDG-GLDUGTPFSA-N

mass

  • 618.84250

monoisotopicmass

  • 618.39204

smiles

  • CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (2alpha,3beta)-3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}lup-20(29)-en-28-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65662

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