input word = C00006247

Metabolite InformationStructural formula
Name Isofurcatain 7-O-glucoside
Formula C27H30O14
Mw 578.16355567
CAS RN 83463-97-2
C_ID C00006247 ,
InChIKey APWMDTDHMWULDZ-XFIKJAQQNA-N
InChICode InChI=1S/C27H30O14/c1-9-19(31)22(34)24(36)26(38-9)18-15(40-27-25(37)23(35)20(32)16(8-28)41-27)7-14-17(21(18)33)12(30)6-13(39-14)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22-,23-,24+,25+,26-,27+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMetzgeriaceaeMetzgeria furcata Ref.
zoom in