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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 > diterpenoid > yuanhuadine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > yuanhuadine

Preferred term

yuanhuadine  

Type

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

Broader concept

charge

  • 0

formula

  • C32H42O10

has_role

inchi

  • InChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1

inchikey

  • NHELFTYSELEEFD-SVAWBNMMSA-N

mass

  • 586.66990

monoisotopicmass

  • 586.27780

smiles

  • [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@H](OC(C)=O)[C@H]3C)C(C)=C)/C=C/C=C/CCCCC

subset

  • 2_STAR

synonym RELATED

  • (12-beta,22E,24E)-12-(acetyloxy)-22,23,24,25-tetradehydro-simplexin
  • (1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-1,3-nonadien-1-yl]-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.0(1,11).0(2,6).0(8,10 ).0(12,16)]nonadec-3-en-17-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69565

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