input word = C00005817

Metabolite InformationStructural formula
Name Diphylloside C
Formula C44H58O25
Mw 986.32671741
CAS RN 125028-59-3
C_ID C00005817 ,
InChIKey AASIAAVALAOIOH-GROKPGQFNA-N
InChICode InChI=1S/C44H58O25/c1-14(2)4-9-18-20(62-44-40(33(58)28(53)23(13-47)65-44)69-42-35(60)31(56)27(52)22(12-46)64-42)10-19(49)24-29(54)38(36(66-37(18)24)16-5-7-17(48)8-6-16)67-43-39(32(57)25(50)15(3)61-43)68-41-34(59)30(55)26(51)21(11-45)63-41/h4-8,10,15,21-23,25-28,30-35,39-53,55-60H,9,11-13H2,1-3H3/t15-,21+,22-,23-,25+,26+,27+,28+,30-,31-,32+,33+,34-,35-,39-,40-,41+,42+,43+,44-/m1/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium diphyllum Ref.
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OrganismEpimedium diphyllum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Mizuno,Phytochem.,28,(1989),2527