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Concept information

Preferred term

اسید گیبوزیک O  

Type

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

Broader concept

charge

  • 0

formula

  • C30H40O6

inchi

  • InChI=1S/C30H40O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(33)29(6)19-8-9-22-27(3,4)23(32)10-11-28(22,5)21(19)15-25(34)30(20,29)7/h8,12,15,17,20,22,24,33H,9-11,13-14H2,1-7H3,(H,35,36)/b16-12+/t17-,20+,22-,24-,28+,29+,30-/m0/s1

inchikey

  • AWDXEDPZZFRKNY-VTOTWIFMSA-N

mass

  • 496.644

monoisotopicmass

  • 496.28249

smiles

  • O=C1C=C2C(=CC[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1([C@@H](/C(=C/C(=O)C[C@@H](C(=O)O)C)/C)C[C@@H]4O)C)C

subset

  • 2_STAR

synonym EXACT

  • (E,2S)-6-[(5R,10S,13R,14S,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,12-dioxo-2,5,6,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225181

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