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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > triol > rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide
... > organooxygen compound > ester > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide
... > organooxygen compound > oxacycle > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide

Preferred term

rel-(-)-(1s,4s,7s,10r)-1,4,7-trihydroxycembra-2e,8-(19),11z-trien-20,10-olide  

Type

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

charge

  • 0

formula

  • C20H30O5

has_role

inchi

  • InChI=1S/C20H30O5/c1-13(2)20(24)8-5-15-12-16(25-18(15)22)11-14(3)17(21)6-7-19(4,23)9-10-20/h9-10,12-13,16-17,21,23-24H,3,5-8,11H2,1-2,4H3/b10-9+/t16-,17+,19+,20-/m1/s1

inchikey

  • LOIIZBXZZSSECJ-PJVKNAPTSA-N

mass

  • 350.44920

monoisotopicmass

  • 350.20932

smiles

  • CC(C)[C@@]1(O)CCC2=C[C@@H](CC(=C)[C@@H](O)CC[C@](C)(O)/C=C/1)OC2=O

subset

  • 3_STAR

synonym EXACT

  • (-)-(4S*,5E,7S*,10S*,13R*)-4,7,10-trihydroxy-7-methyl-11-methylidene-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68872

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