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Chemistry, part 2

Content language

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Concept information

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

Preferred term

myrothecol c  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O5

inchi

  • InChI=1S/C22H32O5/c1-13-5-6-16-20(2,12-24)7-4-8-21(16,3)15(13)10-22-17(25)9-14(11-23)18(26)19(22)27-22/h9,15-16,18-19,23-24,26H,1,4-8,10-12H2,2-3H3/t15-,16-,18-,19+,20-,21+,22-/m0/s1

inchikey

  • VUZUKTHJOMFUTI-XKFBSPQISA-N

mass

  • 376.493

monoisotopicmass

  • 376.22497

smiles

  • O=C1C=C([C@H](O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@]4(CO)C)C)CO

subset

  • 2_STAR

synonym EXACT

  • (1R,5S,6R)-1-[[(1S,4aR,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209821

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