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Concept information

Preferred term

7,8-dehydrocerberin  

Type

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

charge

  • 0

formula

  • C32H46O9

inchi

  • InChI=1S/C32H46O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h7,14,17,20-23,26-29,35-36H,6,8-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,26-,27+,28-,29-,30-,31+,32-/m0/s1

inchikey

  • MJWBKZJOFFGTCD-ZSCKLWMASA-N

mass

  • 574.70220

monoisotopicmass

  • 574.31418

smiles

  • [H][C@]12CC=C3[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • (3beta,5beta)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycarda-7,20(22)-dienolide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65734

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