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Concept information

Preferred term

stachybotrin c  

Type

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

Broader concept

charge

  • 0

formula

  • C31H39NO5

inchi

  • InChI=1S/C31H39NO5/c1-20(2)7-5-8-21(3)9-6-15-31(4)28(35)18-25-27(34)17-24-26(29(25)37-31)19-32(30(24)36)16-14-22-10-12-23(33)13-11-22/h7,9-13,17,28,33-35H,5-6,8,14-16,18-19H2,1-4H3/b21-9+/t28-,31-/m1/s1

inchikey

  • VXPNPWUFHMIFJE-LCVDRPHOSA-N

mass

  • 505.655

monoisotopicmass

  • 505.28282

smiles

  • O=C1N(CC2=C1C=C(O)C3=C2O[C@@]([C@H](O)C3)(CC/C=C(/CCC=C(C)C)/C)C)CCC4=CC=C(O)C=C4

subset

  • 2_STAR

synonym EXACT

  • (2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-8-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225783

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