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Concept information

Preferred term

nhatrangin b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H31BrO8

inchi

  • InChI=1S/C21H31BrO8/c1-11(5-8-18(29-4)15-9-14(24)6-7-16(15)22)20(12(2)21(27)28)30-19(26)10-17(25)13(3)23/h6-7,9,11-13,17-18,20,23-25H,5,8,10H2,1-4H3,(H,27,28)/t11-,12+,13+,17+,18?,20+/m0/s1

inchikey

  • ZMDNPAXGEYVRDA-LYLINXQFSA-N

mass

  • 491.375

monoisotopicmass

  • 490.12023

smiles

  • BrC1=C(C=C(O)C=C1)C(OC)CC[C@@H]([C@@H](OC(=O)C[C@@H](O)[C@H](O)C)[C@H](C(=O)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,4S)-7-(2-bromo-5-hydroxyphenyl)-3-[(3R,4R)-3,4-dihydroxypentanoyl]oxy-7-methoxy-2,4-dimethylheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209888

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