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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 > triterpenoid > quinquenoside iii
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > quinquenoside iii

Preferred term

quinquenoside iii  

Type

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

Broader concept

charge

  • 0

formula

  • C50H84O19

inchi

  • InChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)38(59)35(56)28(21-52)65-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)36(57)29(66-45)22-63-24(3)53)68-43-40(61)37(58)34(55)27(20-51)64-43/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3

inchikey

  • PXHNTRFQGHWVGX-UHFFFAOYSA-N

mass

  • 989.203

monoisotopicmass

  • 988.56068

smiles

  • OC1C2C(C3(C(C4(C(CC3)C(C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)COC(=O)C)CC4)(C)C)C)C1)C)(CCC2C(OC7OC(C(O)C(O)C7O)CO)(CCC=C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [3,4-dihydroxy-6-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191596

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