input word = C00034346

Metabolite InformationStructural formula
Name Youngiajaponicoside A
(+)-Youngiajaponicoside A
Formula C29H36O11
Mw 560.22576199
CAS RN 907999-35-3
C_ID C00034346 ,
InChIKey WTMCDNRDWIEAPV-VEVYULDUNA-N
InChICode InChI=1S/C29H36O11/c1-12-8-18(32)23-14(3)28(36)40-26(23)22-13(2)19(10-17(12)22)37-29-25(35)27(24(34)20(11-30)38-29)39-21(33)9-15-4-6-16(31)7-5-15/h4-7,13,17-20,22-27,29-32,34-35H,1,3,8-11H2,2H3/t13-,17+,18+,19+,20-,22-,23-,24-,25-,26-,27+,29-/m1/s1
SMILES [C@@H]12[C@H]3[C@H](C(=C)C[C@@H]([C@H]1C(=C)C(=O)O2)O)C[C@@H]([C@H]3C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)Cc1ccc(cc1)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeYoungia japonica (L.) DC. Ref.
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OrganismYoungia japonica (L.) DC.
ReferenceZidorn,Phytochem.,69,(2008),2270