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Concept information

Preferred term

botrysphin e  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34O9

inchi

  • InChI=1S/C27H34O9/c1-6-25(4)10-11-27(34)14(13-25)17(29)20(32)22-24(2,3)8-7-9-26(22,27)23(33)36-21-15(28)12-16(35-5)18(30)19(21)31/h6,12-13,18-19,21,30-32,34H,1,7-11H2,2-5H3/t18-,19-,21+,25+,26+,27-/m1/s1

inchikey

  • QRKUDJZMRTVQRY-SJJDIPSKSA-N

mass

  • 502.560

monoisotopicmass

  • 502.22028

smiles

  • O=C1C(O)=C2[C@](C(=O)O[C@H]3C(=O)C=C(OC)[C@H]([C@H]3O)O)(CCCC2(C)C)[C@@]4(C1=C[C@@](C=C)(CC4)C)O

subset

  • 2_STAR

synonym EXACT

  • [(1R,5S,6R)-5,6-dihydroxy-4-methoxy-2-oxocyclohex-3-en-1-yl] (4aR,4bR,7R)-7-ethenyl-4b,10-dihydroxy-1,1,7-trimethyl-9-oxo-3,4,5,6-tetrahydro-2H-phenanthrene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207752

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