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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 > diterpenoid > musabalbisiane b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > musabalbisiane b

Preferred term

musabalbisiane b  

Type

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

Broader concept

charge

  • 0

formula

  • C23H30O12

inchi

  • InChI=1S/C23H30O12/c24-8-13-5-16(28)23(18(31)32)20(10-25,7-17(29)30)15(27)1-3-21(23,11-26)22(13)6-14(35-19(22)33)12-2-4-34-9-12/h2,4,9-10,13-16,19,24,26-28,33H,1,3,5-8,11H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20+,21-,22-,23-/m0/s1

inchikey

  • DGMXGJQMPUKDQN-VLGBJMDQSA-N

mass

  • 498.481

monoisotopicmass

  • 498.17373

smiles

  • O1[C@@H](O)[C@]2([C@@]3([C@@]([C@]([C@H](O)CC3)(CC(O)=O)C=O)([C@H](O)C[C@H]2CO)C(O)=O)CO)C[C@H]1C=4C=COC4

subset

  • 2_STAR

synonym EXACT

  • (2'R,3R,4S,4aR,5R,5'S,7R,8R,8aS)-4-(carboxymethyl)-4-ormyl-5'-(uran-3-yl)-2',3,5-trihydroxy-7,8a-bis(hydroxymethyl)spiro[1,2,3,5,6,7-hexahydronaphthalene-8,3'-oxolane]-4a-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190071

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