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Chemistry, part 1

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Concept information

organooxygen compound > isoaustin

Preferred term

isoaustin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H32O9

has_functional_parent

inchi

  • InChI=1S/C27H32O9/c1-13-17-11-24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(17,7)12-18(34-16(4)28)25(13)10-9-19(29)35-22(25,5)6/h9-10,15,18,32H,2,11-12H2,1,3-8H3/t15-,18+,23+,24-,25-,26+,27-/m0/s1

inchikey

  • SLCHGQPSMLGFMX-MEYKOWCESA-N

mass

  • 500.544

monoisotopicmass

  • 500.20463

smiles

  • O1[C@@]2(C([C@@]3([C@]4(C(C2)=C([C@@]5([C@H](OC(=O)C)C4)C(OC(=O)C=C5)(C)C)C)C)[C@](O)([C@@H](OC3=O)C)C1=O)=C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,4R,5S,9S,12S,13S)-12-hydroxy-2,2',2',6,9,13-hexamethyl-16-methylidene-6',11,15-trioxospiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-4-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172717

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