input word = C00035177

Metabolite InformationStructural formula
Name Angoroside C
Formula C36H48O19
Mw 784.27897935
CAS RN 115909-22-3
C_ID C00035177 ,
InChIKey KLQXMRBGMLHBBQ-MZEWOYCKNA-N
InChICode InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36-/m0/s1
SMILES COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia ilwensis Ref.
PlantaeScrophulariaceaeScrophularia lepidota Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
PlantaeScrophulariaceaeScrophularia nodosa L. Ref.
PlantaeScrophulariaceaeScrophularia scopolii Ref.
--Acrophularia lepidota Ref.
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OrganismScrophularia ningpoensis
ReferenceLi,Phytochem.,54,(2000),923