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Concept information

Preferred term

16آلفا، 24،25 تری هیدروکسی ( متیل) 3،4 secolanosta (29)، 7،9 (11) ان ،21 اسید دیوئیک  

Type

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

Broader concept

charge

  • 0

formula

  • C31H48O8

inchi

  • InChI=1S/C31H48O8/c1-18(2)20-8-9-22-21(28(20,5)13-12-24(34)35)11-14-29(6)25(23(33)16-30(22,29)7)19(26(36)37)10-15-31(39,17-32)27(3,4)38/h9,11,19-20,23,25,32-33,38-39H,1,8,10,12-17H2,2-7H3,(H,34,35)(H,36,37)/t19-,20+,23-,25+,28+,29-,30+,31?/m0/s1

inchikey

  • PQWJLGGQKKWKGV-BHDUSPHASA-N

mass

  • 548.717

monoisotopicmass

  • 548.33492

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(2S,3S,3aS,6R,7R,9bS)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-5,6-dihydroxy-5-(hydroxymethyl)-6-methylheptanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206793

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