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Chemistry, part 2

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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 > 1beta,2alpha,3beta,19alpha-tetrahydroxy-12-ursen-28-oic acid 28-o-[b-d-glucopyranosyl-(1->2)-b-d-glucopyranosyl] ester
... > 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 > 1beta,2alpha,3beta,19alpha-tetrahydroxy-12-ursen-28-oic acid 28-o-[b-d-glucopyranosyl-(1->2)-b-d-glucopyranosyl] ester
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > 1beta,2alpha,3beta,19alpha-tetrahydroxy-12-ursen-28-oic acid 28-o-[b-d-glucopyranosyl-(1->2)-b-d-glucopyranosyl] ester
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 1beta,2alpha,3beta,19alpha-tetrahydroxy-12-ursen-28-oic acid 28-o-[b-d-glucopyranosyl-(1->2)-b-d-glucopyranosyl] ester

Preferred term

1beta,2alpha,3beta,19alpha-tetrahydroxy-12-ursen-28-oic acid 28-o-[b-d-glucopyranosyl-(1->2)-b-d-glucopyranosyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C42H68O16

inchi

  • InChI=1S/C42H68O16/c1-18-10-13-42(36(53)58-35-30(27(48)25(46)21(17-44)56-35)57-34-28(49)26(47)24(45)20(16-43)55-34)15-14-38(4)19(31(42)41(18,7)54)8-9-23-39(38,5)12-11-22-37(2,3)32(51)29(50)33(52)40(22,23)6/h8,18,20-35,43-52,54H,9-17H2,1-7H3

inchikey

  • CYBPVTXJHMEVKW-UHFFFAOYSA-N

mass

  • 828.990

monoisotopicmass

  • 828.45074

smiles

  • OC1C2(C3C(C4(C(C5C(CC4)(CCC(C5(O)C)C)C(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)CO)=O)=CC3)C)(CCC2C(C(O)C1O)(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173310

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