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Concept information

Preferred term

پنیسیلون جی  

Type

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

Broader concept

charge

  • 0

formula

  • C29H35BrO7

inchi

  • InChI=1S/C29H35BrO7/c1-6-7-8-9-10-16(2)11-18(4)28(35)37-29(5)26(33)21-15-36-23(14-20(21)25(30)27(29)34)24-17(3)12-19(31)13-22(24)32/h11,14-16,19,31H,6-10,12-13H2,1-5H3/b18-11+/t16-,19+,29+/m0/s1

inchikey

  • VJHUSRCFHWWYCT-LWGLPVJESA-N

mass

  • 575.496

monoisotopicmass

  • 574.15662

smiles

  • BrC1=C2C(C(=O)[C@](C1=O)(OC(=O)/C(=C/[C@H](CCCCCC)C)/C)C)=COC(=C2)C=3C(=O)C[C@H](O)CC3C

subset

  • 2_STAR

synonym EXACT

  • [(7R)-5-bromo-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl] (E,4S)-2,4-dimethyldec-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222958

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