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Concept information

Preferred term

Pestaloficiol I  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O5

inchi

  • InChI=1S/C16H22O5/c1-15(2)7-11(18)8-5-10(17)14-9(13(8)21-15)6-12(20-14)16(3,4)19/h6,10,12,14,17,19H,5,7H2,1-4H3/t10-,12-,14+/m0/s1

inchikey

  • JYXSZFDEOPSZCU-VHRBIJSZSA-N

mass

  • 294.347

monoisotopicmass

  • 294.14672

smiles

  • O=C1C2=C(OC(C1)(C)C)C3=C[C@@H](C(O)(C)C)O[C@H]3[C@H](C2)O

subset

  • 2_STAR

synonym EXACT

  • (6S,6aR,8S)-6-hydroxy-8-(2-hydroxypropan-2-yl)-2,2-dimethyl-5,6,6a,8-tetrahydro-3H-uro[2,3-h]chromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198611

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