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Concept information

organooxygen compound > aspertetranone a

Preferred term

aspertetranone a  

Type

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

charge

  • 0

formula

  • C22H26O9

inchi

  • InChI=1S/C22H26O9/c1-8-10(3)30-16(25)12-14(24)13-9(2)21(28)7-11(23)19(4,5)17(26)22(21,29)18(27)20(13,6)31-15(8)12/h9,13,18,27-29H,7H2,1-6H3/t9-,13+,18+,20+,21-,22-/m1/s1

inchikey

  • YOSOWEHAEZDGPS-WHIYRLCQSA-N

mass

  • 434.441

monoisotopicmass

  • 434.15768

smiles

  • O=C1OC(=C(C)C2=C1C(=O)[C@@H]3[C@H]([C@]4(O)CC(=O)C(C([C@]4([C@H]([C@]3(O2)C)O)O)=O)(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,10R,11R,12R,17R,18R)-12,17,18-trihydroxy-1,4,5,11,15,15-hexamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,9,14,16-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200622

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