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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 > terpene glycoside > triterpenoid saponin > 3-o-[alpha-l-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-d-glucopyranosyl echinocystic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > triterpenoid saponin > 3-o-[alpha-l-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-d-glucopyranosyl echinocystic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > 3-o-[alpha-l-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-d-glucopyranosyl echinocystic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 3-o-[alpha-l-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-d-glucopyranosyl echinocystic acid

Preferred term

3-o-[alpha-l-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-d-glucopyranosyl echinocystic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C43H69NO13

has_role

inchi

  • InChI=1S/C43H69NO13/c1-21(45)44-30-33(50)32(49)25(20-55-36-34(51)31(48)24(46)19-54-36)56-35(30)57-29-12-13-40(6)26(39(29,4)5)11-14-41(7)27(40)10-9-22-23-17-38(2,3)15-16-43(23,37(52)53)28(47)18-42(22,41)8/h9,23-36,46-51H,10-20H2,1-8H3,(H,44,45)(H,52,53)/t23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-,40-,41+,42+,43+/m0/s1

inchikey

  • LRMCXUYYLPHGOS-CJXDOCFZSA-N

mass

  • 808.00690

monoisotopicmass

  • 807.47689

smiles

  • [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(O)=O)C2(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67800

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