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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-[beta-d-xylopyranosyl(1->2)-alpha-l-arabinopyranosyl(1->6)-[beta-d-glucopyranosyl(1->2)]-beta-d-glucopyranoside 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-[beta-d-xylopyranosyl(1->2)-alpha-l-arabinopyranosyl(1->6)-[beta-d-glucopyranosyl(1->2)]-beta-d-glucopyranoside echinocystic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > 3-o-[beta-d-xylopyranosyl(1->2)-alpha-l-arabinopyranosyl(1->6)-[beta-d-glucopyranosyl(1->2)]-beta-d-glucopyranoside echinocystic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 3-o-[beta-d-xylopyranosyl(1->2)-alpha-l-arabinopyranosyl(1->6)-[beta-d-glucopyranosyl(1->2)]-beta-d-glucopyranoside echinocystic acid

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C52H84O22

has_role

inchi

  • InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)/t23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1

inchikey

  • AZFFBGWLLZUTDW-SITIIBQWSA-N

mass

  • 1061.21020

monoisotopicmass

  • 1060.54542

smiles

  • [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])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](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67805

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