input word = C00047377

Metabolite InformationStructural formula
Name Alpindenoside C
Formula C32H50O14
Mw 658.32005631
CAS RN 1169760-93-3
C_ID C00047377 ,
InChIKey NLCPEJWMTDRXDL-QQJYEKAWNA-N
InChICode InChI=1S/C32H50O14/c1-13-22(35)24(37)26(39)29(42-13)46-27-25(38)23(36)18(11-33)44-30(27)45-20-7-8-32(4)16-10-17(14-9-21(34)41-12-14)43-28(40)15(16)5-6-19(32)31(20,2)3/h9,13,15-20,22-30,33,35-40H,5-8,10-12H2,1-4H3/t13-,15-,16-,17-,18+,19-,20-,22-,23+,24+,25-,26+,27+,28+,29-,30-,32-/m0/s1
SMILES C1[C@H]2[C@@H]([C@@H](O[C@@H]1C1=CC(=O)OC1)O)CC[C@@H]1[C@]2(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia densespicata Ref.
zoom in