input word = C00006286

Metabolite InformationStructural formula
Name 3,6-Di-C-glucopyranosylacacetin
Formula C28H32O15
Mw 608.17412036
CAS RN 98891-91-9
C_ID C00006286 ,
InChIKey RRYBNEMBSQZZBH-AILMNLLENA-N
InChICode InChI=1S/C28H32O15/c1-40-10-4-2-9(3-5-10)26-17(28-25(39)23(37)19(33)14(8-30)43-28)21(35)16-12(41-26)6-11(31)15(20(16)34)27-24(38)22(36)18(32)13(7-29)42-27/h2-6,13-14,18-19,22-25,27-34,36-39H,7-8H2,1H3/t13-,14-,18-,19-,22+,23-,24-,25-,27+,28+/m1/s1
SMILES COc1ccc(-c2oc3cc(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c3c(=O)c2[C@@H]2OC(CO)[C@@H](O)C(O)C2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeFortunella japonica Ref.
zoom in