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Concept information

organooxygen compound > oxacycle > ananolignan e

Preferred term

ananolignan e  

Type

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

charge

  • 0

formula

  • C25H30O9

inchi

  • InChI=1S/C25H30O9/c1-11-12(2)21(34-13(3)26)15-9-16(28-4)22(29-5)24(30-6)19(15)18-14(20(11)27)8-17-23(25(18)31-7)33-10-32-17/h8-9,11-12,20-21,27H,10H2,1-7H3/t11-,12+,20-,21-/m1/s1

inchikey

  • PPTXQFNYNVVYPV-HBJRXTQZSA-N

mass

  • 474.50030

monoisotopicmass

  • 474.18898

smiles

  • COc1cc2[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC

subset

  • 3_STAR

synonym EXACT

  • (5R,6S,7R,8R)-8-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67442

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