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Chemistry, part 2

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic 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 ester > methyl ester > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic 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 > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic 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 > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic 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 > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic 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 > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic 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 > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy carboxylic acid > hydroxy monocarboxylic acid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic 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 > organic tetracyclic compound > tetracyclic triterpenoid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid

Preferred term

methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H50O7

has_role

inchi

  • InChI=1S/C31H50O7/c1-26(18-32)13-15-31(25(35)36)16-14-28(3)20(21(31)17-26)7-8-22-27(2,11-10-24(34)38-6)23(30(5,37)19-33)9-12-29(22,28)4/h7,21-23,32-33,37H,8-19H2,1-6H3,(H,35,36)/t21-,22+,23+,26+,27+,28+,29+,30?,31-/m0/s1

inchikey

  • SUUYXWGSSHWCRR-RIFYGRPCSA-N

mass

  • 534.72450

monoisotopicmass

  • 534.35565

smiles

  • COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC=C1[C@@H]3C[C@](C)(CO)CC[C@@]3(CC[C@@]21C)C(O)=O)C(C)(O)CO

subset

  • 3_STAR

synonym EXACT

  • (1R,2R,4aR,4bS,6aR,9R,10aS,12aR)-2-(1,2-dihydroxypropan-2-yl)-9-(hydroxymethyl)-1-(3-methoxy-3-oxopropyl)-1,4a,4b,9-tetramethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,12,12a-tetradecahydrochrysene-6a(2H)-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69364

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