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Concept information

Preferred term

zhankuic acid b  

Type

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

charge

  • 0

formula

  • C29H42O5

inchi

  • InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,22-,28+,29-/m1/s1

inchikey

  • TXEJUZMIQVTZHO-JNXQNPAGSA-N

mass

  • 470.64080

monoisotopicmass

  • 470.30322

smiles

  • [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (3alpha,4alpha,5alpha)-3-hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66504

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