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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 > 10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] 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 > 10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > 10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester

Preferred term

10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C63H102O29

inchi

  • InChI=1S/C63H102O29/c1-25-48(89-51-42(74)36(68)28(66)22-81-51)40(72)45(77)54(84-25)88-35-12-13-60(6)33(59(35,4)5)11-14-62(8)34(60)10-9-26-27-19-58(2,3)15-17-63(27,18-16-61(26,62)7)57(80)92-56-46(78)41(73)49(31(21-65)86-56)90-53-47(79)50(91-52-43(75)37(69)29(67)23-82-52)32(24-83-53)87-55-44(76)39(71)38(70)30(20-64)85-55/h9,25,27-56,64-79H,10-24H2,1-8H3

inchikey

  • YZWLELIIIVVKPT-UHFFFAOYSA-N

mass

  • 1323.469

monoisotopicmass

  • 1322.65068

smiles

  • CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)OC9C(C(C(C(O9)CO)O)O)O)OC%10C(C(C(CO%10)O)O)O)O)O)O)C)C)C)O)O)OC%11C(C(C(CO%11)O)O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93809

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