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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
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > calopin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > calopin
... > 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
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > calopin

Preferred term

calopin  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16O5

inchi

  • InChI=1S/C13H16O5/c1-6-3-4-8(11(15)10(6)14)9-7(2)5-18-13(17)12(9)16/h3-4,7,9,12,14-16H,5H2,1-2H3/t7-,9-,12+/m1/s1

inchikey

  • BUYWZUSDDLWZNM-GMEUVTARSA-N

mass

  • 252.266

monoisotopicmass

  • 252.09977

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S,4R,5S)-4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204954

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