input word = C00035901

Metabolite InformationStructural formula
Name Yadanzioside K
Formula C36H48O18
Mw 768.28406473
CAS RN 101559-98-2
C_ID C00035901 ,
InChIKey YJWLVGXIHBVPPC-MDWZMJQENA-N
InChICode InChI=1S/C36H48O18/c1-13(33(4,5)54-15(3)38)8-20(40)52-26-28-35-12-49-36(28,32(47)48-7)29(45)24(44)27(35)34(6)10-17(39)25(14(2)16(34)9-19(35)51-30(26)46)53-31-23(43)22(42)21(41)18(11-37)50-31/h8,16,18-19,21-24,26-29,31,37,41-45H,9-12H2,1-7H3/b13-8+/t16-,18-,19-,21-,22+,23-,24-,26+,27-,28-,29-,31+,34-,35-,36+/m1/s1
SMILES C1(=O)C(=C([C@@H]2[C@@](C1)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@H]([C@H]3[C@]([C@@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)/C=C(/C(C)(OC(=O)C)C)\C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea amarissima (Lour.) Desv.ex B.A.Gomes Ref.
PlantaeSimaroubaceaeBrucea javanica Ref.
zoom in



OrganismBrucea javanica
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Chen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11.

Kim, et al., JNP, 67, (2004), 863