input word = C00010627

Metabolite InformationStructural formula
Name Vaccinoside
Formula C25H28O13
Mw 536.15299098
CAS RN 36138-58-6
C_ID C00010627 ,
InChIKey WJPRKOJNQIZCGY-MMTRHDJTNA-N
InChICode InChI=1S/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3+/t14-,16+,18+,19+,20+,21-,23+,24-,25+/m0/s1
SMILES [C@@H]12[C@H]([C@H](OC=C1C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)[C@@](C=C2)(COC(=O)/C=C/c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium bracteatum Ref.
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