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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > polysaccharide derivative > lipopolysaccharide > mer-wf3010
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > biomacromolecule > polysaccharide derivative > lipopolysaccharide > mer-wf3010
... > chemical entity > molecular entity > polyatomic entity > macromolecule > biomacromolecule > polysaccharide derivative > lipopolysaccharide > mer-wf3010
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > liposaccharide > lipopolysaccharide > mer-wf3010
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > liposaccharide > lipopolysaccharide > mer-wf3010

Preferred term

mer-wf3010  

Type

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

Broader concept

charge

  • 0

formula

  • C45H60O16

inchi

  • InChI=1S/C45H60O16/c1-5-7-8-9-15-20-35(50)56-26-34-38(52)39(53)40(54)44(58-34)60-41-33(24-46)61-45(37-29(25-57-45)22-30(47)23-32(37)49)43(55)42(41)59-36(51)21-16-11-14-19-31(48)28(4)18-13-10-12-17-27(3)6-2/h5,7-11,13-16,18,20-23,27,31,33-34,38-44,46-49,52-55H,6,12,17,19,24-26H2,1-4H3/b7-5+,9-8+,13-10+,14-11+,20-15+,21-16+,28-18+

inchikey

  • ITBLPDDJTHGYAL-QBRWPTABSA-N

mass

  • 856.959

monoisotopicmass

  • 856.38814

smiles

  • O=C(OC1C(O)C2(OC(C1OC3OC(C(O)C(C3O)O)COC(=O)/C=C/C=C/C=C/C)CO)OCC=4C2=C(O)C=C(O)C4)/C=C/C=C/CC(O)/C(=C/C=C/CCC(CC)C)/C

subset

  • 2_STAR

synonym EXACT

  • [3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[3,4,5-trihydroxy-6-[[(2E,4E,6E)-octa-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzouran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214432

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