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Concept information

Preferred term

colletobredin d  

Type

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

Broader concept

charge

  • 0

formula

  • C21H31ClO8

inchi

  • InChI=1S/C21H31ClO8/c1-3-4-5-6-11-7-12-13(9-28-11)16(24)10(2)20(15(12)22)30-21-19(27)18(26)17(25)14(8-23)29-21/h11,14,17-19,21,23-27H,3-9H2,1-2H3/t11-,14+,17+,18-,19+,21-/m0/s1

inchikey

  • DHTAEMPKNODJAP-KFYOOSJMSA-N

mass

  • 446.920

monoisotopicmass

  • 446.17075

smiles

  • ClC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C(=C(O)C3=C1C[C@H](CCCCC)OC3)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4S,5S,6R)-2-[[(3S)-5-chloro-8-hydroxy-7-methyl-3-pentyl-3,4-dihydro-1H-isochromen-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202770

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