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.
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