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... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
organooxygen compound > carbonyl compound > ketone > cyclic ketone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
organooxygen compound > ester > lactone > gamma-lactone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
organooxygen compound > oxacycle > lactone > gamma-lactone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
organooxygen compound > ether > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > organooxygen compound > ester > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide
... > organooxygen compound > oxacycle > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide

Preferred term

(1s,2r,5r,6s,7s,8s,10r)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide  

Type

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

charge

  • 0

formula

  • C17H24O5

inchi

  • InChI=1S/C17H24O5/c1-5-21-11-7-12(18)17(4)14(11)8(2)6-10-13(15(17)19)9(3)16(20)22-10/h8,10-11,13-15,19H,3,5-7H2,1-2,4H3/t8-,10+,11-,13-,14-,15+,17-/m1/s1

inchikey

  • YXYLQALWYQEJAY-LAMAJPJRSA-N

mass

  • 308.36950

monoisotopicmass

  • 308.16237

smiles

  • CCO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O

subset

  • 3_STAR

synonym EXACT

  • (3aS,4S,4aR,7R,7aS,8R,9aS)-7-ethoxy-4-hydroxy-4a,8-dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69329

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