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Concept information

Preferred term

هیگرولیدین  

Type

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

charge

  • 0

formula

  • C37H56O11

inchi

  • InChI=1S/C37H56O11/c1-20-12-11-13-29(45-10)35(47-36(43)24(5)18-21(2)17-23(4)33(41)22(3)16-20)26(7)34(42)27(8)37(44)19-30(25(6)28(9)48-37)46-32(40)15-14-31(38)39/h11-15,17-18,22-23,25-30,33-35,41-42,44H,16,19H2,1-10H3,(H,38,39)/b13-11+,15-14+,20-12+,21-17+,24-18+/t22-,23+,25-,26-,27-,28+,29-,30+,33-,34+,35+,37+/m0/s1

inchikey

  • GEZBIZMDLMTFDB-KJKHOEIASA-N

mass

  • 676.83390

monoisotopicmass

  • 676.38226

smiles

  • CO[C@H]1/C=C/C=C(C)/C[C@H](C)[C@H](O)[C@H](C)/C=C(/C)/C=C(C)/C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)/C=C/C(O)=O)[C@@H](C)[C@@H](C)O1

subset

  • 3_STAR

synonym EXACT

  • (5R)-3-O-[(2E)-3-carboxyprop-2-enoyl]-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4R,6R,9S,10S,11R,12R,14R)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4,5-dimethyl-beta-L-erythro-pentopyranose

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83959

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