input word = C00044073

Metabolite InformationStructural formula
Name Alangisesquin C
Formula C37H48O16
Mw 748.29423549
CAS RN 212007-44-8
C_ID C00044073 ,
InChIKey NLDGSHLJCGHSMC-AGNPAHCDNA-N
InChICode InChI=1S/C37H48O16/c1-46-24-12-19(7-8-23(24)41)30(42)28(15-39)51-36-26(48-3)13-20(14-27(36)49-4)34-22(17-50-37-33(45)32(44)31(43)29(16-40)52-37)21-10-18(6-5-9-38)11-25(47-2)35(21)53-34/h7-8,10-14,22,28-34,37-45H,5-6,9,15-17H2,1-4H3/t22-,28+,29-,30-,31-,32+,33-,34+,37-/m1/s1
SMILES COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@H]3Oc4c(OC)cc(CCCO)cc4[C@@H]3CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium premnifolium Ref.
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