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Chemistry, part 2

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 > isoprenoid > terpenoid > triterpenoid > 3-o-acetyluncaric acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3-o-acetyluncaric acid

Preferred term

3-o-acetyluncaric acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O6

has_role

inchi

  • InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-22-28(5)13-12-23(38-19(2)33)27(3,4)25(28)21(34)17-30(22,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22-,23+,24-,25+,28-,29-,30-,31-,32+/m1/s1

inchikey

  • KBYMABZAFBTCMQ-IQJXLAGFSA-N

mass

  • 530.73580

monoisotopicmass

  • 530.36074

smiles

  • [H][C@]12CC=C3[C@]4([H])[C@](C)(O)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(C)=O)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 3beta-O-acetyl-6beta,19alpha-diol-12-ursen-28-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68102

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