input word = C00006226

Metabolite InformationStructural formula
Name Isoswertisin 2''-O-xyloside
Formula C27H30O14
Mw 578.16355567
CAS RN 89613-14-9
C_ID C00006226 ,
InChIKey YQIWCUKZIPUVPY-NEQPVLKXNA-N
InChICode InChI=1S/C27H30O14/c1-37-16-7-13(31)18-12(30)6-15(10-2-4-11(29)5-3-10)39-24(18)19(16)25-26(22(35)21(34)17(8-28)40-25)41-27-23(36)20(33)14(32)9-38-27/h2-7,14,17,20-23,25-29,31-36H,8-9H2,1H3/t14-,17-,20-,21-,22+,23-,25+,26+,27-/m1/s1
SMILES COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGnetaceaeGnetum africanum Ref.
PlantaeGnetaceaeGnetum buchholzianum Ref.
PlantaeRutaceaeGalipea trifoliata Ref.
zoom in