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Concept information

Preferred term

16 دئوکسی پوریکوییک اسید B  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O4

inchi

  • InChI=1S/C30H44O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,12,14,21-23H,3,8,10-11,13,15-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21?,22-,23+,28-,29+,30-/m0/s1

inchikey

  • ZYEKRDSCPDPVSG-MTGBOMLISA-N

mass

  • 468.678

monoisotopicmass

  • 468.32396

smiles

  • O=C(O)C([C@@H]1[C@@]2([C@@](C=3C([C@]([C@H](C(=C)C)CC3)(CCC(=O)O)C)=CC2)(C)CC1)C)CCC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225267

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