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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > 5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)

Preferred term

5beta-pregnane 3alpha,20alpha-diol 3-o-(beta-d-glucuronide)(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C27H43O8

inchi

  • InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/p-1/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1

inchikey

  • ZFFFJLDTCLJDHL-JQYCEVDMSA-M

mass

  • 495.634

monoisotopicmass

  • 495.29634

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C

subset

  • 2_STAR

synonym RELATED

  • 3alpha,20alpha-dihydroxy-5beta-pregnane 3-O-(beta-D-glucuronate)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178102

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