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Concept information

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

Preferred term

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

Type

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

charge

  • 0

formula

  • C18H24O6

inchi

  • InChI=1S/C18H24O6/c1-8-6-11-14(9(2)17(21)24-11)16(23-10(3)19)18(4)13(20)7-12(22-5)15(8)18/h8,11-12,14-16H,2,6-7H2,1,3-5H3/t8-,11+,12+,14-,15-,16+,18-/m1/s1

inchikey

  • IVGBVLQEASLHGO-PIALLGAOSA-N

mass

  • 336.37960

monoisotopicmass

  • 336.15729

smiles

  • CO[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]2OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • (3aR,4S,4aR,7S,7aS,8R,9aS)-7-methoxy-4a,8-dimethyl-3-methylidene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69331

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