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Concept information

Preferred term

(10s,10'r)-wentibianthrone a  

Type

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

Broader concept

charge

  • 0

formula

  • C35H30O12

inchi

  • InChI=1S/C35H30O12/c1-13-4-18-26(21-9-17(46-3)10-24(41)30(21)33(43)28(18)22(39)5-13)27-19-6-14(2)25(35(45)47-12-16(38)11-36)32(42)31(19)34(44)29-20(27)7-15(37)8-23(29)40/h4-10,16,26-27,36-42H,11-12H2,1-3H3/t16-,26-,27+/m0/s1

inchikey

  • YDKPGQXHCPSPPY-YWCGKUAGSA-N

mass

  • 642.613

monoisotopicmass

  • 642.17373

smiles

  • O=C1C2=C(O)C(=C(C)C=C2[C@@H]([C@@H]3C4=C(C(=O)C5=C3C=C(C)C=C5O)C(O)=CC(=C4)OC)C=6C1=C(O)C=C(O)C6)C(=O)OC[C@@H](O)CO

subset

  • 2_STAR

synonym EXACT

  • [(2S)-2,3-dihydroxypropyl] (10R)-10-[(9S)-4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,6,8-trihydroxy-3-methyl-9-oxo-10H-anthracene-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227193

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