input word = C00044071

Metabolite InformationStructural formula
Name Alangisesquin A
(-)-Alangisesquin A
Formula C37H46O16
Mw 746.27858542
CAS RN 212007-42-6
C_ID C00044071 ,
InChIKey WMRGZRXKBZGTEN-DYXRKEDPNA-N
InChICode InChI=1S/C37H46O16/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/h5-8,10-14,22,28-34,37-45H,9,15-17H2,1-4H3/b6-5+/t22-,28+,29-,30-,31-,32+,33-,34+,37-/m1/s1
SMILES c1(cc(cc2c1O[C@H]([C@@H]2CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c1cc(c(c(c1)OC)O[C@@H](CO)[C@@H](c1cc(c(cc1)O)OC)O)OC)/C=C/CO)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium premnifolium Ref.
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