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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 > chikusetsusaponin ib
... > 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 > chikusetsusaponin ib
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > chikusetsusaponin ib
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > chikusetsusaponin ib

Preferred term

chikusetsusaponin ib  

Type

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

Broader concept

charge

  • 0

formula

  • C47H74O18

inchi

  • InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)22(23(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)61-40-33(55)30(52)34(62-39-32(54)29(51)24(20-49)60-39)35(63-40)37(57)65-38-21(19-48)28(50)31(53)36(56)64-38/h8,21,23-36,38-40,48-56H,9-20H2,1-7H3,(H,58,59)

inchikey

  • HUSFIDYRQHYZEL-UHFFFAOYSA-N

mass

  • 927.07970

monoisotopicmass

  • 926.48752

smiles

  • CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6O)C(=O)OC6OC(O)C(O)C(O)C6CO)C(C)(C)C5CCC34C)C2C1)C(O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:81172

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