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Concept information

Preferred term

پوروسوفنول B  

Type

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

Broader concept

charge

  • 0

formula

  • C27H38O6

inchi

  • InChI=1S/C27H38O6/c1-15(9-16(2)21(7)29)10-17(3)26(31)20(6)27(32)18(4)11-24-22(12-19(5)28)13-23(30)14-25(24)33-8/h9-10,13-14,16,18,20-21,29-30H,11-12H2,1-8H3/b15-9+,17-10+/t16-,18+,20-,21-/m0/s1

inchikey

  • BGHJKGLKXACHPT-LQNJGUKQSA-N

mass

  • 458.595

monoisotopicmass

  • 458.26684

smiles

  • O=C(/C(=C/C(=C/[C@@H]([C@@H](O)C)C)/C)/C)[C@@H](C(=O)[C@@H](CC1=C(OC)C=C(O)C=C1CC(=O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,4R,6E,8E,10S,11S)-11-hydroxy-1-[4-hydroxy-2-methoxy-6-(2-oxopropyl)phenyl]-2,4,6,8,10-pentamethyldodeca-6,8-diene-3,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225446

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