input word = C00047895

Metabolite InformationStructural formula
Name Fucatoside B
(+)-Fucatoside B
Formula C33H42O19
Mw 742.23202916
CAS RN 1176306-07-2
C_ID C00047895 ,
InChIKey PPMUODHYYRGJOK-HPKUXFRYNA-N
InChICode InChI=1S/C33H42O19/c34-11-22-26(50-23(41)6-3-15-1-4-17(36)19(38)9-15)27(51-32-29(44)33(45,13-35)14-48-32)28(52-30-25(43)24(42)21(40)12-47-30)31(49-22)46-8-7-16-2-5-18(37)20(39)10-16/h1-6,9-10,21-22,24-32,34-40,42-45H,7-8,11-14H2/b6-3+/t21-,22-,24+,25-,26-,27+,28-,29+,30+,31-,32+,33-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OCCc1ccc(c(c1)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)OC(=O)/C=C/c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana fucata Ref.
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