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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 > 3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > 3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-

Preferred term

3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C27H39NO3

has_role

inchi

  • InChI=1S/C27H39NO3/c1-15-11-24-27(31-24)17(3)25-22(28(27)14-15)13-21-20(23(30)9-10-26(21,25)4)8-6-18-12-19(29)7-5-16(18)2/h5,7,12,15,17,20-25,29-30H,6,8-11,13-14H2,1-4H3/t15-,17-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1

inchikey

  • ZSZIYSIYMPMVLO-YABRITBBSA-N

mass

  • 425.60350

monoisotopicmass

  • 425.29299

smiles

  • [H][C@@]12C[C@H](C)CN3[C@@]4([H])C[C@@]5([H])[C@H](CCc6cc(O)ccc6C)[C@@H](O)CC[C@]5(C)[C@@]4([H])[C@H](C)[C@@]13O2

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69655

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