input word = C00045384

Metabolite InformationStructural formula
Name Prunose I
Formula C31H38O18
Mw 698.20581441
CAS RN 457639-62-2
C_ID C00045384 ,
InChIKey ZOUZJMBDRBNYLJ-FIZCTZOXNA-N
InChICode InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]1([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)OC(=O)C)O)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus mume Ref.
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