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Concept information

ترکیب اکسیژن ارگانیک > پلی کتید > ماکرولید > 4 هیدروپروکسیوسیلاتوکسین B2

Preferred term

4 هیدروپروکسیوسیلاتوکسین B2  

Type

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

Broader concept

charge

  • 0

formula

  • C32H46O11

inchi

  • InChI=1S/C32H46O11/c1-18(11-12-23(38-7)21-9-8-10-22(34)13-21)29-19(2)25-16-32(42-29)30(4,5)17-31(6,43-37)26(41-32)15-28(36)39-24(20(3)33)14-27(35)40-25/h8-10,13,15,18-20,23-25,29,33-34,37H,11-12,14,16-17H2,1-7H3/b26-15+/t18-,19-,20+,23-,24+,25-,29+,31-,32+/m0/s1

inchikey

  • QZGGIZIUEKEAAS-RLUCYSILSA-N

mass

  • 606.709

monoisotopicmass

  • 606.30401

smiles

  • O=C1O[C@@H]([C@H](O)C)CC(=O)O[C@@H]2[C@H](C)[C@H](O[C@]3(OC(=C1)[C@@](OO)(CC3(C)C)C)C2)[C@H](CC[C@H](OC)C4=CC(O)=CC=C4)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,4S,5S,9R,12Z,14S)-14-hydroperoxy-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226618

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