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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 > triterpenoid > (3b,16a,21b,22a)-12-oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (3b,16a,21b,22a)-12-oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al

Preferred term

(3b,16a,21b,22a)-12-oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al  

Type

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

Broader concept

charge

  • 0

formula

  • C35H54O7

inchi

  • InChI=1S/C35H54O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,18,22-28,37-40H,11-17,19H2,1-8H3/b20-9+

inchikey

  • IQYIDEWXVLGTDZ-AWQFTUOYSA-N

mass

  • 586.810

monoisotopicmass

  • 586.38695

smiles

  • OC1C2(C(C=3C(C4(C(C5(C(CC4)C(C(O)CC5)(C)C=O)C)CC3)C)(C1)C)CC(C(O)C2OC(=O)/C(/C)=C/C)(C)C)CO

subset

  • 2_STAR

synonym EXACT

  • [9-ormyl-3,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176151

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