input word = C00030626

Metabolite InformationStructural formula
Name Lamiuside D
(-)-Lamiuside D
Formula C36H48O21
Mw 816.2688086
CAS RN 925676-10-4
C_ID C00030626 ,
InChIKey VNIODXKKMXLOHD-SXNFNXQINA-N
InChICode InChI=1S/C36H48O21/c1-14-25(44)28(47)33(57-35-29(48)27(46)26(45)21(11-37)53-35)36(52-14)56-32-30(49)34(51-13-23(50-2)16-5-7-18(40)20(42)10-16)54-22(12-38)31(32)55-24(43)8-4-15-3-6-17(39)19(41)9-15/h3-10,14,21-23,25-42,44-49H,11-13H2,1-2H3/b8-4+/t14-,21+,22+,23+,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-/m0/s1
SMILES COC(CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLamium purpureum L. Ref.
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