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

Preferred term

mangiferonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O3

inchi

  • InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1

inchikey

  • MZPNVEOVZSHYMZ-NTXGJNAHSA-N

mass

  • 454.695

monoisotopicmass

  • 454.34470

smiles

  • O=C1C([C@]2([C@@]3([C@@]4(C3)[C@]([C@]5([C@](CC4)([C@](CC5)([C@@H](CC/C=C(/C)/C(O)=O)C)[H])C)C)(CC2)[H])CC1)[H])(C)C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172009

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