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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > tertiary alpha-hydroxy ketone > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
organooxygen compound > ether > cyclic ether > epoxide > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
organooxygen compound > oxacycle > cyclic ether > epoxide > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > lathyrane diterpenoid > (+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one

Preferred term

(+)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-cinnamoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one  

Type

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

charge

  • 0

formula

  • C29H36O5

inchi

  • InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1

inchikey

  • QWCWFWSASCMKEX-XMILKHFNSA-N

mass

  • 464.59310

monoisotopicmass

  • 464.25627

smiles

  • C[C@H]1C[C@@]2(O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](/C=C(C)/C2=O)C3(C)C)[C@H]1OC(=O)/C=C/c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • (1aR,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-4a-hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-1b,2,3,4,4a,5,7a,8,8a,9,10,10a-dodecahydro-1aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-2-yl (2E)-3-phenylprop-2-enoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67690

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