input word = C00030624

Metabolite InformationStructural formula
Name Lamiuside B
(-)-Lamiuside B
Formula C36H48O20
Mw 800.27389398
CAS RN 925676-09-1
C_ID C00030624 ,
InChIKey ZESLEBMVQBSQNZ-KXSNJOQINA-N
InChICode InChI=1S/C36H48O20/c1-15-25(43)28(46)33(56-35-29(47)27(45)26(44)22(13-37)52-35)36(51-15)55-32-30(48)34(50-10-9-17-3-6-18(39)19(40)11-17)53-23(14-38)31(32)54-24(42)8-5-16-4-7-21(49-2)20(41)12-16/h3-8,11-12,15,22-23,25-41,43-48H,9-10,13-14H2,1-2H3/b8-5+/t15-,22+,23+,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-/m0/s1
SMILES COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLamium purpureum L. Ref.
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OrganismLamium purpureum L.
ReferenceIto,Chem.Pharm.Bull.,54,(2006),1705