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Concept information

Preferred term

phoxalone  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O8

inchi

  • InChI=1S/C22H32O8/c1-12-11-13(2)19-17(25)18(26)21(28-3)22(27,30-19)10-9-15(23)29-20(16(12)24)14-7-5-4-6-8-14/h4-8,12-13,16-21,24-27H,9-11H2,1-3H3/t12-,13?,16-,17+,18+,19+,20?,21?,22?/m1/s1

inchikey

  • NZWZEUXOJXVUKT-OJUSXZMHSA-N

mass

  • 424.490

monoisotopicmass

  • 424.20972

smiles

  • O=C1OC(C2=CC=CC=C2)[C@H](O)[C@@H](CC(C)[C@@H]3OC(CC1)(O)C(OC)[C@@H](O)[C@@H]3O)C

subset

  • 2_STAR

synonym EXACT

  • (7R,8R,11S,12S,13S)-1,7,12,13-tetrahydroxy-14-methoxy-8,10-dimethyl-6-phenyl-5,15-dioxabicyclo[9.3.1]pentadecan-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213817

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