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Concept information

Preferred term

SMTP 14  

Type

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

Broader concept

charge

  • 0

formula

  • C32H39NO7

inchi

  • InChI=1S/C32H39NO7/c1-19(2)7-5-8-20(3)9-6-14-32(4)28(36)17-24-27(35)16-23-25(29(24)40-32)18-33(30(23)37)26(31(38)39)15-21-10-12-22(34)13-11-21/h7,9-13,16,26,28,34-36H,5-6,8,14-15,17-18H2,1-4H3,(H,38,39)/t26-,28-,32-/m0/s1

inchikey

  • NSIGTFXHCFDUIY-XKVYUHEQSA-N

mass

  • 549.664

monoisotopicmass

  • 549.27265

smiles

  • O=C1N([C@H](C(=O)O)CC2=CC=C(O)C=C2)CC3=C1C=C(O)C4=C3O[C@]([C@@H](O)C4)(CCC=C(CCC=C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209454

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