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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > versiconol acetate(1-) > (3s)-versiconol acetate(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > versiconol acetate(1-) > (3s)-versiconol acetate(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > versiconol acetate(1-) > (3s)-versiconol acetate(1-)

Preferred term

(3s)-versiconol acetate(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C20H17O9

inchi

  • InChI=1S/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-1/t9-/m1/s1

inchikey

  • BWYUKBCRHDFWFF-SECBINFHSA-M

mass

  • 401.34360

monoisotopicmass

  • 401.08781

smiles

  • CC(=O)OCC[C@H](CO)c1c([O-])cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O

subset

  • 3_STAR

synonym EXACT

  • 3-[(2S)-4-acetoxy-1-hydroxybutan-2-yl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate

synonym RELATED

  • (3S)-versiconol acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:72673

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