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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
organooxygen compound > carbonyl compound > ketone > cyclic ketone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
organooxygen compound > ester > lactone > gamma-lactone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
organooxygen compound > oxacycle > lactone > gamma-lactone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > organooxygen compound > ester > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
... > organooxygen compound > oxacycle > lactone > terpene lactone > sesquiterpene lactone > pseudoguaianolide > (1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide

Preferred term

(1r,5r,6s,7r,8s,10r)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide  

Type

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

charge

  • 0

formula

  • C15H18O4

inchi

  • InChI=1S/C15H18O4/c1-7-6-10(16)12-8(2)14(18)19-13(12)15(3)9(7)4-5-11(15)17/h4-5,7,9-10,12-13,16H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1

inchikey

  • AOWQDAQVNAATGF-GSNHZRAGSA-N

mass

  • 262.30100

monoisotopicmass

  • 262.12051

smiles

  • C[C@@H]1C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=CC2=O

subset

  • 3_STAR

synonym EXACT

  • (3aR,4S,6R,6aR,9aR,9bS)-4-hydroxy-6,9a-dimethyl-3-methylidene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69325

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