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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > catechols > calopin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > calopin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > calopin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > calopin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > calopin b

Preferred term

calopin b  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16O6

inchi

  • InChI=1S/C13H16O6/c1-6-5-19-13(18)12(17)9(6)8-3-2-7(4-14)10(15)11(8)16/h2-3,6,9,12,14-17H,4-5H2,1H3/t6-,9-,12+/m1/s1

inchikey

  • NJZFGSWJVGTAJR-JSTDYGSISA-N

mass

  • 268.265

monoisotopicmass

  • 268.09469

smiles

  • O=C1OC[C@@H](C)[C@@H]([C@@H]1O)C2=C(O)C(O)=C(CO)C=C2

subset

  • 2_STAR

synonym EXACT

  • (3S,4R,5S)-4-[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-3-hydroxy-5-methyloxan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219239

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