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Concept information

Preferred term

lucensimycin a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H32O9

inchi

  • InChI=1S/C29H32O9/c1-15-22(38-17(3)30)14-21-20(24(15)33)12-11-18-13-19(9-7-5-6-8-10-23(31)32)29(26(35)28(18,21)4)25(34)16(2)37-27(29)36/h5-12,15,18-22,24,33H,2,13-14H2,1,3-4H3,(H,31,32)/t15-,18-,19+,20+,21-,22+,24+,28-,29-/m0/s1

inchikey

  • BWLNMHRUYCQUPW-PJQPDCIQSA-N

mass

  • 524.566

monoisotopicmass

  • 524.20463

smiles

  • O=C1[C@]2([C@@H](C=C[C@@H]3[C@@H]2C[C@@H](OC(=O)C)[C@@H]([C@H]3O)C)C[C@H]([C@@]14C(=O)OC(C4=O)=C)C=CC=CC=CC(=O)O)C

subset

  • 2_STAR

synonym EXACT

  • 7-[(2S,3R,4aS,4bS,6R,7R,8S,8aR,10aR)-6-acetyloxy-8-hydroxy-4a,7-dimethyl-5'-methylidene-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl]hepta-2,4,6-trienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217583

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