input word = C00034351

Metabolite InformationStructural formula
Name Youngiaside C
Formula C29H34O11
Mw 558.21011193
CAS RN 106235-36-3
C_ID C00034351 ,
InChIKey XBBPBGMDGPIGGW-SMPPODBPNA-N
InChICode InChI=1S/C29H34O11/c1-13-18-8-5-16(23(18)26-19(10-20(13)32)14(2)28(36)40-26)12-37-29-25(35)24(34)27(21(11-30)38-29)39-22(33)9-15-3-6-17(31)7-4-15/h3-7,19-21,23-27,29-32,34-35H,2,8-12H2,1H3/t19-,20+,21+,23-,24-,25+,26-,27+,29+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(CO[C@@H]4O[C@H](CO)[C@@H](OC(=O)Cc5ccc(O)cc5)[C@H](O)[C@H]4O)=CCC3=C(C)[C@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeYoungia denticulata (Houtt.) Kitam. Ref.
zoom in