input word = C00048098

Metabolite InformationStructural formula
Name Samioside
(-)-Samioside
Formula C34H44O19
Mw 756.24767923
CAS RN 360768-68-9
C_ID C00048098 ,
InChIKey MYTQIOQLRFFFEC-IKGPAQSONA-N
InChICode InChI=1S/C34H44O19/c1-15-27(52-33-30(45)34(46,13-36)14-48-33)24(42)25(43)32(49-15)53-29-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)28(29)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 O[C@H]1[C@H]([C@H](O[C@@H]2[C@H]([C@H](OCCc3ccc(c(c3)O)O)O[C@@H]([C@H]2OC(=O)/C=C/c2cc(c(cc2)O)O)CO)O)O[C@H]([C@@H]1O[C@@H]1OC[C@]([C@H]1O)(O)CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana sp. Ref.
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