input word = C00044074

Metabolite InformationStructural formula
Name Alangisesquin D
Formula C37H48O16
Mw 748.29423549
CAS RN 212007-45-9
C_ID C00044074 ,
InChIKey NLDGSHLJCGHSMC-MZWMDAELNA-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 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)CCCO)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium premnifolium Ref.
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