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Concept information

Preferred term

griseorhodin d1/d2  

Type

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

Broader concept

charge

  • 0

formula

  • C52H38O16

inchi

  • InChI=1S/C52H38O16/c1-17(53)7-21-9-19-3-5-25-27(35(19)47(61)37(21)51(65)66)15-31-39(29-11-23(55)13-33(57)41(29)49(63)43(31)45(25)59)40-30-12-24(56)14-34(58)42(30)50(64)44-32(40)16-28-26(46(44)60)6-4-20-10-22(8-18(2)54)38(52(67)68)48(62)36(20)28/h9-16,39-40,55-62H,3-8H2,1-2H3,(H,65,66)(H,67,68)/t39-,40+

inchikey

  • HTSWORYRFFMQSU-LQDDJWCHSA-N

mass

  • 918.860

monoisotopicmass

  • 918.21599

smiles

  • O=C1C2=C(O)C3=C(C4=C(O)C(=C(CC(=O)C)C=C4CC3)C(=O)O)C=C2[C@@H]([C@H]5C6=C(C(=O)C7=C5C=C(O)C=C7O)C(O)=C8CCC=9C(C8=C6)=C(O)C(=C(CC(=O)C)C9)C(=O)O)C=%10C1=C(O)C=C(O)C%10

subset

  • 2_STAR

synonym EXACT

  • (13R)-13-[(13S)-2-carboxy-1,7,9,11-tetrahydroxy-8-oxo-3-(2-oxopropyl)-6,13-dihydro-5H-benzo[a]tetracen-13-yl]-1,7,9,11-tetrahydroxy-8-oxo-3-(2-oxopropyl)-6,13-dihydro-5H-benzo[a]tetracene-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203423

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