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Concept information

Preferred term

versixanthone n  

Type

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

Broader concept

charge

  • 0

formula

  • C32H30O14

inchi

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

inchikey

  • FSRHYPDBOOLEFA-RYGOELPRSA-N

mass

  • 638.578

monoisotopicmass

  • 638.16356

smiles

  • O=C1C2=C(O)C3=C(O)C(C4=C5O[C@@]6(C(C(=O)CC[C@H]6O)=C(C5=C(O)C=C4C)O)C(=O)OC)=CC=C3O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C

subset

  • 2_STAR

synonym EXACT

  • methyl (4R,4aR)-5-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214149

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