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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 > limonoid > 7alpha-obacunyl acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > 7alpha-obacunyl acetate

Preferred term

7alpha-obacunyl acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34O8

has_role

inchi

  • InChI=1S/C28H34O8/c1-15(29)33-19-13-18-24(2,3)35-20(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,36-22)27(17,19)6/h8-10,12,14,17-19,21-22H,7,11,13H2,1-6H3/t17-,18+,19-,21-,22-,25-,26+,27+,28-/m1/s1

inchikey

  • VGEVFODMPBFOHX-XJHXUBQGSA-N

mass

  • 498.56480

monoisotopicmass

  • 498.22537

smiles

  • [H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)C=CC(=O)OC(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)[C@H](OC2=O)c1ccoc1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69046

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