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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > pleosporallin d
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > pleosporallin d

Preferred term

pleosporallin d  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O5

inchi

  • InChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h5,9,14-15,17-19,23,25-26H,6-8,10-11H2,1-4H3/t14-,15-,17+,18+,19+,21+,22-/m0/s1

inchikey

  • PTAHXVJYOLFJAH-USZQNJHSSA-N

mass

  • 376.493

monoisotopicmass

  • 376.22497

smiles

  • O=C1C([C@H]2[C@]([C@H](C(C)=CC2)C[C@@]34O[C@@H]3[C@H](O)C(=C[C@H]4O)CO)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201864

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