input word = C00045385

Metabolite InformationStructural formula
Name Prunose II
(+)-Prunose II
Formula C29H36O17
Mw 656.19524973
CAS RN 457640-04-9
C_ID C00045385 ,
InChIKey TWXLNQHRCVWVAT-DELXGRIQNA-N
InChICode InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus mume Ref.
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