input word = C00047528

Metabolite InformationStructural formula
Name Nervilifordin D
(-)-Nervilifordin D
Formula C34H42O21
Mw 786.22185841
CAS RN 1149669-52-2
C_ID C00047528 ,
InChIKey VUMOBQILPLUGLX-HLNGAACINA-N
InChICode InChI=1S/C34H42O21/c1-48-13-6-14(38)19-15(7-13)50-29(11-2-4-12(5-3-11)49-32-26(45)23(42)20(39)16(8-35)51-32)31(22(19)41)55-34-28(47)25(44)30(18(10-37)53-34)54-33-27(46)24(43)21(40)17(9-36)52-33/h2-7,16-18,20-21,23-28,30,32-40,42-47H,8-10H2,1H3/t16-,17-,18-,20-,21-,23+,24+,25-,26-,27-,28-,30-,32+,33+,34+/m1/s1
SMILES c12c(c(=O)c(c(o1)c1ccc(cc1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
zoom in