input word = C00003588

Metabolite InformationStructural formula
Name Ruscoside
Formula C50H80O23
Mw 1048.50903886
CAS RN 51024-64-7
C_ID C00003588 ,
InChIKey JWGLJRXUTIFBHW-GTJOVUOZNA-N
InChICode InChI=1S/C50H80O23/c1-19(17-65-44-39(61)37(59)35(57)29(15-51)68-44)8-11-50(64)20(2)32-28(73-50)14-26-24-7-6-22-12-23(53)13-31(49(22,5)25(24)9-10-48(26,32)4)70-47-43(34(56)27(54)18-66-47)72-46-41(63)42(33(55)21(3)67-46)71-45-40(62)38(60)36(58)30(16-52)69-45/h6,20-21,23-47,51-64H,1,7-18H2,2-5H3/t20-,21-,23+,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40-,41+,42?,43+,44+,45-,46-,47-,48-,49-,50+/m0/s1
SMILES C=C(CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)C6O[C@@H]6OC(C)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)C6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1OC(CO)[C@@H](O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeOphiopogon planiscapus Ref.
PlantaeRuscaceaeRuscus aculeatus Ref.
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