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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > 7beta,20,23xi-trihydroxy-3,11,15-trioxol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 7beta,20,23xi-trihydroxy-3,11,15-trioxol

Preferred term

7beta,20,23xi-trihydroxy-3,11,15-trioxol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O8

inchi

  • InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15-17,19-20,31-32,38H,8-14H2,1-7H3,(H,36,37)/t15?,16?,17-,19-,20?,27-,28+,29?,30-/m0/s1

inchikey

  • XMBMRJGNNOUNJL-XHOJQMQVSA-N

mass

  • 532.674

monoisotopicmass

  • 532.30362

smiles

  • O=C1C2=C([C@@]3(C(=O)CC([C@]3(C1)C)C(O)(CC(O)CC(C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • 4,6-dihydroxy-6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210748

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