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Chemistry, part 2

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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 > plicatilisin e
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > plicatilisin e

Preferred term

plicatilisin e  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28O4

inchi

  • InChI=1S/C20H28O4/c1-11(2)16-18(24)17(23)14-9-13-12(10-21)15(22)5-6-19(13,3)7-8-20(14,16)4/h5-6,9,11,16-18,21,23-24H,7-8,10H2,1-4H3/t16-,17-,18+,19-,20-/m0/s1

inchikey

  • IQSIJJOWDAYBIC-KNJMJIDISA-N

mass

  • 332.440

monoisotopicmass

  • 332.19876

smiles

  • O=C1C(=C2C=C3[C@]([C@@H](C(C)C)[C@H]([C@H]3O)O)(C)CC[C@]2(C)C=C1)CO

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-2,3,4,5-tetrahydro-1H-benzo[]azulen-8-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207326

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