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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 > isoprenoid > terpenoid > diterpenoid > 3beta-hydroxy-agathic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 3beta-hydroxy-agathic acid

Preferred term

3beta-hydroxy-agathic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O5

inchi

  • InChI=1S/C20H30O5/c1-12(11-17(22)23)5-7-14-13(2)6-8-15-19(14,3)10-9-16(21)20(15,4)18(24)25/h11,14-16,21H,2,5-10H2,1,3-4H3,(H,22,23)(H,24,25)/b12-11+/t14-,15+,16-,19+,20+/m0/s1

inchikey

  • ZVYXSVLKUDZWQR-BPTDEXPSSA-N

mass

  • 350.455

monoisotopicmass

  • 350.20932

smiles

  • O=C(O)/C=C(/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CC[C@@H]([C@@]2(C(=O)O)C)O)C)/C

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,4aR,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-2-hydroxy-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209848

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