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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > f12509a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > f12509a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > f12509a
... > 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 > quinone > p-quinones > prenylquinone > f12509a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > f12509a

Preferred term

f12509a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28O4

inchi

  • InChI=1S/C21H28O4/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(24)15(22)11-16(23)19(13)25/h11,14,17,22,25H,1,5-10H2,2-4H3/t14-,17-,21+/m0/s1

inchikey

  • KFAYECQGXSDHKU-XXHMAFKTSA-N

mass

  • 344.451

monoisotopicmass

  • 344.19876

smiles

  • O=C1C(O)=CC(=O)C(=C1C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O

subset

  • 2_STAR

synonym EXACT

  • 3-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209983

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