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

Preferred term

pouogenin b  

Type

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

Broader concept

charge

  • 0

formula

  • C36H56O8

has_role

inchi

  • InChI=1S/C36H56O8/c1-22(13-16-31-35(9,10)33(41)18-19-36(31,11)44-27(6)39)12-15-28(42-25(4)37)20-24(3)30(43-26(5)38)21-29-23(2)14-17-32(40)34(29,7)8/h12,14,20,28-31,33,41H,13,15-19,21H2,1-11H3/b22-12+,24-20+/t28-,29-,30+,31+,33+,36+/m1/s1

inchikey

  • LOUNPPZOBFGBQD-MQQGKSLRSA-N

mass

  • 616.82500

monoisotopicmass

  • 616.39752

smiles

  • CC(=O)O[C@H](C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O)/C=C(/C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69154

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