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 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(-c3ccc(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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