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Concept information

Preferred term

austalide h acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34O8

inchi

  • InChI=1S/C25H34O8/c1-12-14-11-32-22(29)18(14)20(31-6)13-9-16-24(4,8-7-17(27)28)21(23(2,3)30)15(26)10-25(16,5)33-19(12)13/h15-16,21,26,30H,7-11H2,1-6H3,(H,27,28)/t15-,16-,21+,24-,25+/m1/s1

inchikey

  • NNOMPFCNQCRAIO-JSGMTKEVSA-N

mass

  • 462.539

monoisotopicmass

  • 462.22537

smiles

  • O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](O)[C@H]([C@@]([C@H]4C3)(CCC(=O)O)C)C(O)(C)C)C)C2C

subset

  • 2_STAR

synonym EXACT

  • 3-[(5aS,7R,8S,9R,9aR)-7-hydroxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203776

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