input word = C00033657

Metabolite InformationStructural formula
Name Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Formula C25H42O12
Mw 534.26762681
CAS RN 1039756-99-4
C_ID C00033657 ,
InChIKey KJTGCRQLXFRSTR-QSPNGUEMNA-N
InChICode InChI=1S/C25H42O12/c1-11-7-13(28)8-25(3,4)14(11)6-5-12(2)34-23-21(33)19(31)22(16(10-27)36-23)37-24-20(32)18(30)17(29)15(9-26)35-24/h7,12,14-24,26-27,29-33H,5-6,8-10H2,1-4H3/t12-,14+,15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H](CC[C@H]1C(=CC(=O)CC1(C)C)C)C)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium porrum L. Ref.
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