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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid saponin > 25-acetyl-6,7-didehydrofevicordin f 3-[glucosyl-(1->6)-glucoside]

Preferred term

25-acetyl-6,7-didehydrofevicordin f 3-[glucosyl-(1->6)-glucoside]  

Type

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

Broader concept

charge

  • 0

formula

  • C43H62O18

inchi

  • InChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+

inchikey

  • SQETUVZNOCBWJQ-VAWYXSNFSA-N

mass

  • 866.951

monoisotopicmass

  • 866.39362

smiles

  • OC1C(C2(C(C3C(C(=O)C2)(C=4C(C=C3)=C(C(OC5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)CO)=C(O)C4)C)C)(C1)C)C)C(O)(C(O)/C=C/C(OC(=O)C)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(E)-6-[2,16-dihydroxy-4,9,13,14-tetramethyl-11-oxo-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-12,15,16,17-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl]-5,6-dihydroxy-2-methylhept-3-en-2-yl] acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190822

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