input word = C00035899

Metabolite InformationStructural formula
Name Yadanzioside C
Formula C34H46O17
Mw 726.27350005
CAS RN 95258-16-5
C_ID C00035899 ,
InChIKey HOEZNQMKHRGGTI-HCGNKTLENA-N
InChICode InChI=1S/C34H46O17/c1-12(31(3,4)45)7-18(36)51-24-26-33-11-47-34(26,30(44)46-6)27(42)23(41)25(33)32(5)9-15(19(37)13(2)14(32)8-17(33)50-28(24)43)48-29-22(40)21(39)20(38)16(10-35)49-29/h7,9,13-14,16-17,20-27,29,35,38-42,45H,8,10-11H2,1-6H3/b12-7+/t13-,14-,16+,17+,20-,21-,22+,23+,24+,25+,26+,27-,29+,32-,33+,34-/m0/s1
SMILES C1(=C[C@]2([C@H]([C@@H](C1=O)C)C[C@@H]1[C@]34[C@@H]2[C@H]([C@@H]([C@@]([C@@H]3[C@H](C(=O)O1)OC(=O)/C=C(\C)/C(C)(O)C)(C(=O)OC)OC4)O)O)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).

Sakaki, et al., Bull Chem Soc Jpn, 58, (1985), 2680.

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