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Chemistry, part 1

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Concept information

organooxygen compound > chenopodolin b

Preferred term

chenopodolin b  

Type

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

Broader concept

charge

  • 0

formula

  • C26H32O9

has_functional_parent

inchi

  • InChI=1S/C26H32O9/c1-8-24(5)11-15-9-17(30)20-25(6,16(15)10-18(24)32-12(2)27)21(33-13(3)28)19-22(34-14(4)29)26(20,7)23(31)35-19/h8-9,16,18-22H,1,10-11H2,2-7H3/t16-,18+,19?,20+,21-,22-,24-,25+,26+/m1/s1

inchikey

  • UKVZYZLTRBOIDM-NSBUEDILSA-N

mass

  • 488.533

monoisotopicmass

  • 488.20463

smiles

  • O=C1C=C2[C@@H](C[C@H](OC(=O)C)[C@@](C2)(C=C)C)[C@]3([C@H]1[C@@]4(C(=O)OC([C@H]3OC(=O)C)[C@H]4OC(=O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,7S,8S,10R,11S,12S,16S)-12,16-diacetyloxy-7-ethenyl-1,7,11-trimethyl-3,15-dioxo-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-4-en-8-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213583

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