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Concept information

Preferred term

Geumsanol D  

Type

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

charge

  • 0

formula

  • C21H30O7

inchi

  • InChI=1S/C21H30O7/c1-6-12(2)18(24)20(4,25)8-7-15-9-14-10-17(23)21(5,26)19(28-13(3)22)16(14)11-27-15/h7-10,12,16,18-19,24-26H,6,11H2,1-5H3/b8-7+/t12-,16-,18+,19+,20+,21-/m0/s1

inchikey

  • BTVUENFCNHCCNW-QPOFEPKDSA-N

mass

  • 394.464

monoisotopicmass

  • 394.19915

smiles

  • O=C1C=C2C=C(OC[C@@H]2[C@H]([C@]1(O)C)OC(=O)C)/C=C/[C@@](O)([C@H](O)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • [(7R,8R,8aR)-3-[(E,3R,4R,5S)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216958

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