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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > myrothecol f
... > 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 > cyclic ketone > alicyclic ketone > cyclohexenones > myrothecol f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > myrothecol f

Preferred term

myrothecol f  

Type

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

Broader concept

charge

  • 0

formula

  • C22H34O7

inchi

  • InChI=1S/C22H34O7/c1-12-5-6-15-20(2,10-23)7-4-8-21(15,3)14(12)9-13-16(25)18(27)22(29,11-24)19(28)17(13)26/h14-16,18,23-27,29H,1,4-11H2,2-3H3/t14-,15-,16-,18+,20-,21+,22-/m0/s1

inchikey

  • AOFSOKCCOSPZSP-PJJTYRBESA-N

mass

  • 410.507

monoisotopicmass

  • 410.23045

smiles

  • O=C1C(O)=C([C@H](O)[C@H]([C@@]1(O)CO)O)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC[C@]3(CO)C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,5R,6S)-3-[[(1S,4aR,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,4,5,6-tetrahydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203728

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