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

Preferred term

sabetaafrin a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H32O7

inchi

  • InChI=1S/C27H32O7/c1-6-15(2)9-16(3)7-8-19(29)13-22(30)24-25-21-14-33-20(10-17(4)28)11-18(21)12-23(31)27(25,5)34-26(24)32/h7-9,11-15,17,24-25,28-29H,6,10H2,1-5H3/b8-7+,16-9+,19-13-/t15?,17?,24-,25+,27+/m1/s1

inchikey

  • FRERSNXTZNXIGN-OGDDRNBVSA-N

mass

  • 468.546

monoisotopicmass

  • 468.21480

smiles

  • O=C1C=C2C(=COC(=C2)CC(O)C)[C@@H]3[C@]1(OC(=O)[C@@H]3C(=O)/C=C(/O)/C=C/C(=C/C(CC)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (6aR,9S,9aR)-9-[(2Z,4E,6E)-3-hydroxy-6,8-dimethyldeca-2,4,6-trienoyl]-3-(2-hydroxypropyl)-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217842

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