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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 > aliphatic alcohol > 5alpha,9beta-dihydroxyisocuprebetaic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > aliphatic alcohol > 5alpha,9beta-dihydroxyisocuprebetaic acid

Preferred term

5alpha,9beta-dihydroxyisocuprebetaic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H32O5

inchi

  • InChI=1S/C20H32O5/c1-14(8-13-21)6-11-19(24)15(2)7-12-20(25)17(3,16(22)23)9-5-10-18(19,20)4/h8,21,24-25H,2,5-7,9-13H2,1,3-4H3,(H,22,23)/b14-8+/t17-,18-,19+,20-/m1/s1

inchikey

  • MTGREHKFXJOFSS-ZWWBBUNMSA-N

mass

  • 352.471

monoisotopicmass

  • 352.22497

smiles

  • O=C(O)[C@@]1([C@@]2(O)[C@@]([C@@](O)(C(=C)CC2)CC/C(=C/CO)/C)(CCC1)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4aR,5S,8aS)-5,8a-dihydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,7,8-tetrahydro-2H-naphthalene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224497

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