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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 > isoprenoid > terpenoid > triterpenoid > palustrisoic acid d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > palustrisoic acid d

Preferred term

palustrisoic acid d  

Type

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

Broader concept

charge

  • 0

formula

  • C37H58O8

inchi

  • InChI=1S/C37H58O8/c1-22(23(2)32(42)43)9-10-24(21-38)25-13-17-37(8)27-11-12-28-33(3,4)29(45-31(41)20-34(5,44)19-30(39)40)15-16-35(28,6)26(27)14-18-36(25,37)7/h23-25,28-29,38,44H,1,9-21H2,2-8H3,(H,39,40)(H,42,43)/t23-,24-,25+,28-,29-,34-,35+,36+,37-/m0/s1

inchikey

  • WOAOVYIRRFOGFW-DIBUQIFNSA-N

mass

  • 630.863

monoisotopicmass

  • 630.41317

smiles

  • O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C[C@@](O)(CC(=O)O)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CO)C

subset

  • 2_STAR

synonym EXACT

  • (2S,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-2-methyl-3-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215814

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