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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

macrophorin f  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34O7

inchi

  • InChI=1S/C25H34O7/c1-14-6-7-17-23(2,3)8-5-9-24(17,4)16(14)12-25-18(27)10-15(13-26)21(22(25)32-25)31-20(30)11-19(28)29/h10,16-17,21-22,26H,1,5-9,11-13H2,2-4H3,(H,28,29)/t16-,17-,21+,22+,24+,25-/m0/s1

inchikey

  • RAACRXLODLOMEG-QNRNBLPNSA-N

mass

  • 446.540

monoisotopicmass

  • 446.23045

smiles

  • O=C1C=C([C@@H](OC(=O)CC(=O)O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C)CO

subset

  • 2_STAR

synonym EXACT

  • 3-[[(1R,2R,6R)-6-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]-3-oxopropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210570

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