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Concept information

Preferred term

thermolide e  

Type

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

Broader concept

charge

  • 0

formula

  • C28H53NO8

inchi

  • InChI=1S/C28H53NO8/c1-14(2)25-28(36)37-27(17(5)9-15(3)22(32)12-21(31)13-24(34)29-25)18(6)10-16(4)26(35)20(8)23(33)11-19(7)30/h14-23,25-27,30-33,35H,9-13H2,1-8H3,(H,29,34)/t15-,16+,17-,18+,19+,20-,21+,22+,23-,25-,26+,27-/m1/s1

inchikey

  • SKLALQBGVCJHSK-PNXMFPEBSA-N

mass

  • 531.731

monoisotopicmass

  • 531.37712

smiles

  • O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@@H]1C(C)C)=O)O)C)C)[C@H](C[C@@H]([C@H](O)[C@@H]([C@H](O)C[C@@H](O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,7S,9S,10R,12R,13R)-7,9-dihydroxy-10,12-dimethyl-3-propan-2-yl-13-[(2S,4S,5S,6R,7R,9S)-5,7,9-trihydroxy-4,6-dimethyldecan-2-yl]-1-oxa-4-azacyclotridecane-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218502

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