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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 > chlorajaponol, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > chlorajaponol, (rel)-

Preferred term

chlorajaponol, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C41H48O13

has_role

inchi

  • InChI=1S/C41H48O13/c1-8-17(2)35(46)53-16-40(49)25-13-24(25)38(4)26(40)14-23-21(15-52-29(43)10-9-28(42)50-6)37(48)54-41(23)27(38)12-20-19-11-22(19)39(5)31(20)32(41)30(33(44)34(39)45)18(3)36(47)51-7/h8,19,22,24-27,32,34,45,49H,9-16H2,1-7H3/b17-8+,30-18-/t19-,22-,24-,25+,26?,27+,32+,34+,38+,39+,40+,41+/m1/s1

inchikey

  • XJVVFPZRUWTRKM-HMAJTNGPSA-N

mass

  • 748.81200

monoisotopicmass

  • 748.30949

smiles

  • [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)C(=O)/C(=C(/C)C(=O)OC)[C@@]3([H])C1=C2C[C@@]1([H])[C@]2(C)C(CC4=C(COC(=O)CCC(=O)OC)C(=O)O[C@]314)[C@](O)(COC(=O)C(/C)=C/C)[C@@]1([H])C[C@@]21[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70177

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