input word = C00000684

Metabolite InformationStructural formula
Name Dihydrobuddlenol B
Formula C31H38O11
Mw 586.24141206
CAS RN
C_ID C00000684 ,
InChIKey DGPBJIHDSVVJQC-XGGAYDOUNA-N
InChICode InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27-,28+,29-/m0/s1
SMILES [C@H]1(Oc2c([C@@H]1CO)cc(cc2OC)CCCO)c1cc(c(O[C@H]([C@@H](c2cc(c(cc2)O)OC)O)CO)c(c1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus jamasakura Ref.
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