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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > secondary alpha-hydroxy ketone > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > secondary alpha-hydroxy ketone > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > simalikalactone d
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enone > simalikalactone d
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > triol > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > triol > simalikalactone d
... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > simalikalactone d
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > simalikalactone d
organooxygen compound > ester > lactone > delta-lactone > simalikalactone d
organooxygen compound > oxacycle > lactone > delta-lactone > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > simalikalactone d
organooxygen compound > ether > cyclic ether > simalikalactone d
organooxygen compound > oxacycle > cyclic ether > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > simalikalactone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > quassinoid > simalikalactone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > quassinoid > simalikalactone d

Preferred term

simalikalactone d  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34O9

has_role

inchi

  • InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25-/m1/s1

inchikey

  • OKIKYYZNNZCZRX-ZPUVFWQWSA-N

mass

  • 478.53210

monoisotopicmass

  • 478.22028

smiles

  • [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(=O)[C@H](C)CC)C(=O)O2

subset

  • 3_STAR

synonym EXACT

  • (1beta,11beta,12alpha,15betab)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2R)-2-methylbutanoate

synonym RELATED

  • (+)-simalikalactone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66486

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