input word = C00005882

Metabolite InformationStructural formula
Name Petunoside
Formula C37H38O19
Mw 786.20072904
CAS RN
C_ID C00005882 ,
InChIKey KFGIIYUDNPHGBJ-ZRJRQRKBNA-N
InChICode InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)42)3-9-25(44)54-34-30(48)27(45)23(13-38)52-36(34)56-35-31(49)28(46)24(14-39)53-37(35)55-33-29(47)26-20(43)11-18(41)12-22(26)51-32(33)16-4-6-17(40)7-5-16/h2-12,23-24,27-28,30-31,34-43,45-46,48-49H,13-14H2,1H3/b9-3+/t23-,24-,27-,28-,30+,31+,34-,35-,36+,37+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC2C(O)[C@H](O)C(CO)O[C@H]2OC2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC(CO)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePetunia x hybrida Ref.
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