input word = C00038592

Metabolite InformationStructural formula
Name Betonyoside F
(-)-Betonyoside F
Formula C34H44O19
Mw 756.24767923
CAS RN 181301-33-7
C_ID C00038592 ,
InChIKey HDASKGQSKPVDTC-XHBZCXTENA-N
InChICode InChI=1S/C34H44O19/c1-15-24(42)25(43)29(53-33-30(45)34(46,13-36)14-48-33)32(49-15)52-28-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)27(28)51-23(41)7-4-16-2-5-18(37)20(39)10-16/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OCCc1ccc(c(c1)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeProstanthera melissifolia Ref.
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