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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > (1r,3s,4s,7e,11s,12s,14s)-14-acetoxy-3,4-epoxy-7,18-dolabelladiene

Preferred term

(1r,3s,4s,7e,11s,12s,14s)-14-acetoxy-3,4-epoxy-7,18-dolabelladiene  

Type

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

Broader concept

charge

  • 0

formula

  • C22H34O3

has_role

inchi

  • InChI=1S/C22H34O3/c1-14(2)17-12-19(24-16(4)23)21(5)13-20-22(6,25-20)11-7-8-15(3)9-10-18(17)21/h8,17-20H,1,7,9-13H2,2-6H3/b15-8+/t17-,18+,19+,20+,21-,22+/m1/s1

inchikey

  • UVAWBGLQQAGQHW-SKMPXITJSA-N

mass

  • 346.50360

monoisotopicmass

  • 346.25079

smiles

  • [H][C@]12C[C@@]3(C)[C@H](C[C@H](C(C)=C)[C@]3([H])CCC(C)=CCC[C@]1(C)O2)OC(C)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69949

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