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Concept information

Preferred term

bacillosporin e  

Type

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

Broader concept

charge

  • 0

formula

  • C28H20O11

inchi

  • InChI=1S/C28H20O11/c1-8-4-12(31)16-20-13(8)17-18-22(32)14-9(2)5-11(30)15-19(14)27(6-37-25(15)34,24(18)39-10(3)29)21(17)23(33)28(20,36)7-38-26(16)35/h4-5,18,24,30-31,36H,6-7H2,1-3H3/t18-,24+,27?,28?/m0/s1

inchikey

  • RNYVZQRDRWHPNZ-RSBXVABUSA-N

mass

  • 532.457

monoisotopicmass

  • 532.10056

smiles

  • O=C1OCC2(O)C(=O)C=3C45C=6C(C(=O)OC4)=C(O)C=C(C6C([C@H](C3C7=C2C1=C(O)C=C7C)[C@H]5OC(=O)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • [(14R,24R)-4,9,19-trihydroxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaen-24-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219635

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