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Content language

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Concept information

Preferred term

اسپورمینارین B  

Type

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

Broader concept

charge

  • 0

formula

  • C35H60O8

inchi

  • InChI=1S/C35H60O8/c1-11-21(2)18-34(9)19-26(7)32(40)35(10,43-34)20-25(6)31(39)24(5)14-16-29(37)22(3)12-15-28(36)23(4)13-17-30(38)27(8)33(41)42/h12-17,20-24,26-32,36-40H,11,18-19H2,1-10H3,(H,41,42)/b15-12+,16-14+,17-13+,25-20+/t21?,22?,23?,24?,26-,27?,28?,29?,30?,31?,32+,34+,35-/m0/s1

inchikey

  • SDGAVESVAMQGSA-IXLWIRMLSA-N

mass

  • 608.857

monoisotopicmass

  • 608.42882

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (4E,8E,12E,16E)-3,7,11,15-tetrahydroxy-17-[(2S,3R,4S,6R)-3-hydroxy-2,4,6-trimethyl-6-(2-methylbutyl)oxan-2-yl]-2,6,10,14,16-pentamethylheptadeca-4,8,12,16-tetraenoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216901

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