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

Preferred term

pouogenin d  

Type

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

Broader concept

charge

  • 0

formula

  • C34H54O8

has_role

inchi

  • InChI=1S/C34H54O8/c1-21(12-14-27-31(5,6)30(39)16-18-34(27,10)42-24(4)36)11-13-25(37)19-22(2)26(41-23(3)35)20-28-32(7,8)29(38)15-17-33(28,9)40/h11,15,17,19,25-28,30,37,39-40H,12-14,16,18,20H2,1-10H3/b21-11+,22-19+/t25-,26+,27+,28+,30+,33+,34+/m1/s1

inchikey

  • XYFCCKLZJPBWMV-YOOAOJBASA-N

mass

  • 590.78780

monoisotopicmass

  • 590.38187

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69157

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