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Concept information

Preferred term

ساتراتوکسین I  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38O10

inchi

  • InChI=1S/C29H38O10/c1-17-7-10-27(15-30)21(12-17)38-22-14-20(26(27,3)29(22)16-37-29)39-24(34)6-4-5-9-28(18(2)31)25(35)19(8-11-36-28)13-23(32)33/h4-6,9,12-13,18,20-22,25,30-31,35H,7-8,10-11,14-16H2,1-3H3,(H,32,33)/b6-4-,9-5+,19-13+/t18-,20+,21+,22+,25-,26+,27+,28+,29-/m0/s1

inchikey

  • XXRXTLHRXDOWKF-RVSBEDBKSA-N

mass

  • 546.613

monoisotopicmass

  • 546.24650

smiles

  • O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(C)CC3)O[C@H](C1)[C@]24OC4)CO)C)/C=C/C=C/[C@@]5(OCC/C(/[C@@H]5O)=C/C(=O)O)[C@@H](O)C

subset

  • 2_STAR

synonym EXACT

  • (2E)-2-[(2R,3S)-3-hydroxy-2-[(1S)-1-hydroxyethyl]-2-[(1E,3Z)-5-[(1S,2R,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl]oxy-5-oxopenta-1,3-dienyl]oxan-4-ylidene]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222917

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