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Concept information

Preferred term

astellolide b  

Type

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

Broader concept

charge

  • 0

formula

  • C26H30O9

inchi

  • InChI=1S/C26H30O9/c1-15(27)33-13-25(3)9-4-10-26(14-34-16(2)28)20-12-32-24(31)19(20)11-21(22(25)26)35-23(30)17-5-7-18(29)8-6-17/h5-8,21-22,29H,4,9-14H2,1-3H3/t21-,22+,25-,26+/m1/s1

inchikey

  • GRCAUCWQLNJYKG-GETZNYBYSA-N

mass

  • 486.517

monoisotopicmass

  • 486.18898

smiles

  • O=C1OCC2=C1C[C@@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]4[C@@]2(CCC[C@@]4(COC(=O)C)C)COC(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(5R,5aS,6S,9aR)-6,9a-bis(acetyloxymethyl)-6-methyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] 4-hydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200144

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