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Chemistry, part 2

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Concept information

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

Preferred term

cercosporene a  

Type

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

Broader concept

charge

  • 0

formula

  • C20H26O5

inchi

  • InChI=1S/C20H26O5/c1-10(2)15-18(25)17(24)13-7-12-11(9-21)16(23)14(22)8-19(12,3)5-6-20(13,15)4/h7,10,14,21-22,25H,5-6,8-9H2,1-4H3/t14-,19-,20+/m1/s1

inchikey

  • KHEZYAOQSJJFOU-XMCHAPAWSA-N

mass

  • 346.423

monoisotopicmass

  • 346.17802

smiles

  • O=C1C(=C2C=C3C(=O)C(O)=C([C@@]3(C)CC[C@]2(C)C[C@H]1O)C(C)C)CO

subset

  • 2_STAR

synonym EXACT

  • (3aR,5aR,7R)-2,7-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-4,5,6,7-tetrahydrobenzo[g]azulene-1,8-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207767

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