skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > acenoquinone > anthraquinone > hydroxyanthraquinones > 6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin a

Preferred term

6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22O9

inchi

  • InChI=1S/C22H22O9/c1-7-15-9(3-10(30-7)5-14(24)25)4-11-16(20(15)27)21(28)18-17(19(11)26)12-6-13(23)22(18,29)8(2)31-12/h4,7-8,10,12-13,23,27,29H,3,5-6H2,1-2H3,(H,24,25)/t7-,8+,10+,12+,13+,22+/m0/s1

inchikey

  • QJOFRWDMXPKWGM-XFQYPSQYSA-N

mass

  • 430.409

monoisotopicmass

  • 430.12638

smiles

  • O=C1C2=C(O)C3=C(C[C@H](CC(=O)O)O[C@H]3C)C=C2C(=O)C4=C1[C@]5(O)[C@H](O)C[C@H]4O[C@@H]5C

subset

  • 2_STAR

synonym EXACT

  • 2-[(1S,7S,9R,16R,18R,19R)-1,5,19-trihydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4(13),5,11-tetraen-9-yl]acetic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198626

Download this concept: