input word = C00064264

Metabolite InformationStructural formula
Name Angoroside D
Formula C35H46O19
Mw 770.26332929
CAS RN 299190-93-5
C_ID C00064264
InChIKey JFJXDFLKPWYSTO-SOSHYXPESA-N
InChICode InChI=1S/C35H46O19/c1-15-31(53-34-28(44)25(41)21(39)13-50-34)26(42)30(46)35(51-15)54-32-23(14-49-24(40)8-5-16-4-7-19(37)22(12-16)47-2)52-33(29(45)27(32)43)48-10-9-17-3-6-18(36)20(38)11-17/h3-8,11-12,15,21,23,25-39,41-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21-,23+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34-,35-/m0/s1
SMILES COc1cc(C=CC(=O)OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia scopolii Ref.
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