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Chemistry, part 1

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 > diterpenoid > tetracyclic diterpenoid > 10-deacetylbaccatin iii
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > 10-deacetylbaccatin iii

Preferred term

10-deacetylbaccatin iii  

Type

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

Broader concept

alt_id

  • CHEBI:11300
  • CHEBI:693

charge

  • 0

formula

  • C29H36O10

has_functional_parent

inchi

  • InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1

inchikey

  • YWLXLRUDGLRYDR-ZHPRIASZSA-N

mass

  • 544.59014

monoisotopicmass

  • 544.23085

smiles

  • [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C

subset

  • 3_STAR

synonym EXACT

  • 10-deacetylbaccatin III
  • 10-Deacetylbaccatin III
  • 5beta,20-epoxy-1,7beta,10beta,13alpha-tetrahydroxy-9-oxotax-11-ene-2alpha,4alpha-diyl 4-acetate 2-benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:18193

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