input word = C00063676

Metabolite InformationStructural formula
Name Angoroside B
Formula C35H46O19
Mw 770.26332929
CAS RN 115872-99-6
C_ID C00063676
InChIKey RPWWVBMXYOQTAE-UHFFFAOYSA-N
InChICode InChI=1S/C35H46O19/c1-15-25(41)27(43)29(45)35(51-15)54-32-30(46)34(48-10-9-17-4-7-22(47-2)20(38)12-17)52-23(14-50-33-28(44)26(42)21(39)13-49-33)31(32)53-24(40)8-5-16-3-6-18(36)19(37)11-16/h3-8,11-12,15,21,23,25-39,41-46H,9-10,13-14H2,1-2H3
SMILES COc1ccc(CCOC2OC(COC3OCC(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia scopolii Ref.
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