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

Preferred term

macrocarpal b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O6

inchi

  • InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19-,21-,22-,27-,28-/m1/s1

inchikey

  • IBLPTYJTKWQCDX-NGLILROZSA-N

mass

  • 472.622

monoisotopicmass

  • 472.28249

smiles

  • O[C@]1([C@]2([C@]([C@@]3(C([C@@]3(CC1)[H])(C)C)[H])([C@](CC2)([C@H](CC(C)C)C4=C(O)C(=C(O)C(=C4O)C=O)C=O)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • 5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175704

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