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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 > (3b,6a,12b,20s,23e)-dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (3b,6a,12b,20s,23e)-dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside

Preferred term

(3b,6a,12b,20s,23e)-dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside  

Type

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

Broader concept

charge

  • 0

formula

  • C42H72O15

inchi

  • InChI=1S/C42H72O15/c1-37(2,53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+

inchikey

  • HMCPMOZTKYWJSJ-FMIVXFBMSA-N

mass

  • 817.023

monoisotopicmass

  • 816.48712

smiles

  • O(C1C2C(C3C(C4(C(C(CC4)C(OC5OC(C(O)C(O)C5O)CO)(C/C=C/C(O)(C)C)C)C(O)C3)C)(C1)C)(CCC(O)C2(C)C)C)C6OC(C(O)C(O)C6O)CO

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187569

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