input word = C00038505

Metabolite InformationStructural formula
Name Ardisianoside K
(-)-Ardisianoside K
Formula C53H86O22
Mw 1074.56107443
CAS RN 932018-37-6
C_ID C00038505 ,
InChIKey WLCKGGTZSALHSX-MLRALNGRNA-N
InChICode InChI=1S/C53H86O22/c1-22-31(58)35(62)38(65)44(68-22)74-41-37(64)33(60)26(18-55)70-47(41)71-27-19-67-46(40(34(27)61)73-45-39(66)36(63)32(59)25(17-54)69-45)72-30-11-12-50(5)28(48(30,2)3)10-13-51(6)29(50)9-8-23-24-16-49(4,20-56)14-15-53(24,21-57)43-42(75-43)52(23,51)7/h8,22,24-47,54-66H,9-21H2,1-7H3/t22-,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,47-,49-,50-,51+,52-,53+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CC=C7[C@@H]8C[C@@](C)(CO)CC[C@]8(CO)[C@@H]8O[C@@H]8[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
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