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Concept information

Preferred term

versixanthone c  

Type

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

Broader concept

charge

  • 0

formula

  • C32H30O14

inchi

  • InChI=1S/C32H30O14/c1-12-9-17(34)23-25(38)22-19(45-32(23,27(12)39)30(41)43-4)8-6-14(24(22)37)15-5-7-16(33)21-18(35)11-31(29(40)42-3,46-26(15)21)28-13(2)10-20(36)44-28/h5-8,12-13,27-28,33,37-39H,9-11H2,1-4H3/t12-,13-,27+,28+,31-,32+/m0/s1

inchikey

  • IJLJHUHQJPAOIL-BRUKEMFCSA-N

mass

  • 638.578

monoisotopicmass

  • 638.16356

smiles

  • O=C1C2=C(O[C@](C1)(C(=O)OC)[C@@H]3OC(=O)C[C@@H]3C)C(C4=C(O)C=5C(O)=C6C(=O)C[C@H](C)[C@H]([C@]6(C(=O)OC)OC5C=C4)O)=CC=C2O

subset

  • 2_STAR

synonym EXACT

  • methyl (3S,4R,4aR)-4,8,9-trihydroxy-7-[(2S)-5-hydroxy-2-methoxycarbonyl-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-8-yl]-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209128

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