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Concept information

Preferred term

shikometabolin c  

Type

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

Broader concept

charge

  • 0

formula

  • C32H28O8

inchi

  • InChI=1S/C32H28O8/c1-14(2)6-5-11-32-16(12-15(3)4)13-17-22(29(38)24-19(34)8-7-18(33)23(24)28(17)37)27(32)30(39)25-20(35)9-10-21(36)26(25)31(32)40/h5-12,16,27,35-38H,13H2,1-4H3/b11-5+/t16-,27-,32-/m0/s1

inchikey

  • WPWUAMXXODEDQZ-NAFBJLCISA-N

mass

  • 540.568

monoisotopicmass

  • 540.17842

smiles

  • O=C1C2=C(O)C3=C(C[C@H](C=C(C)C)[C@]4([C@@H]3C(=O)C5=C(C(O)=CC=C5O)C4=O)/C=C/C=C(C)C)C(=C2C(=O)C=C1)O

subset

  • 2_STAR

synonym EXACT

  • (7R,7aS,13aR)-5,9,12,14-tetrahydroxy-7a-[(1E)-4-methylpenta-1,3-dienyl]-7-(2-methylprop-1-enyl)-7,13a-dihydro-6H-pentaphene-1,4,8,13-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212370

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