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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 > sesquiterpenoid > roseic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > roseic acid

Preferred term

roseic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42O5

inchi

  • InChI=1S/C30H42O5/c1-18(8-7-9-19(2)27(33)34)21-12-13-30(6)24-16-23-26(20(3)17-35-23)22(10-11-25(31)32)28(24,4)14-15-29(21,30)5/h7-9,17-18,21-22,24H,10-16H2,1-6H3,(H,31,32)(H,33,34)/b8-7-,19-9-/t18-,21-,22-,24-,28+,29-,30+/m1/s1

inchikey

  • BYCQKBKQTQNKMP-UXDLQAIQSA-N

mass

  • 482.661

monoisotopicmass

  • 482.30322

smiles

  • O=C(O)/C(=C/C=C/[C@H]([C@@H]1[C@@]2([C@@]([C@H]3[C@@]([C@@H](C=4C(C)=COC4C3)CCC(=O)O)(C)CC2)(C)CC1)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (2Z,4Z,6R)-6-[(3R,3aR,5aR,6S,10aR,10bS)-6-(2-carboxyethyl)-3a,5a,7,10b-tetramethyl-1,2,3,4,5,6,10,10a-octahydroindeno[5,4-][1]benzouran-3-yl]-2-methylhepta-2,4-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204290

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