input word = C00010788

Metabolite InformationStructural formula
Name Multiroside
Formula C31H42O19
Mw 718.23202916
CAS RN 131870-64-9
C_ID C00010788 ,
InChIKey JBLZDDRRTGNIBO-AHWSZADONA-N
InChICode InChI=1S/C31H42O19/c1-44-28(43)16-12-46-29(50-31-27(42)25(40)23(38)20(11-34)49-31)14(4-6-32)15(16)9-21(36)45-7-5-13-2-3-18(17(35)8-13)47-30-26(41)24(39)22(37)19(10-33)48-30/h2-4,8,12,15,19-20,22-27,29-35,37-42H,5-7,9-11H2,1H3/b14-4+/t15-,19+,20-,22+,23+,24-,25-,26-,27-,29-,30+,31-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)/C(=C/CO)[C@@H]1CC(=O)OCCc1ccc(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum multiflorum Ref.
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