input word = C00058236

Metabolite InformationStructural formula
Name Sphaerobioside heptaacetate
Formula C41H44O21
Mw 872.23750847
CAS RN 869592-78-9
C_ID C00058236
InChIKey YZCUKNHEZJTCLY-VFERETTOSA-N
InChICode InChI=1S/C41H44O21/c1-17-34(55-19(3)43)36(57-21(5)45)38(59-23(7)47)40(53-17)52-16-31-35(56-20(4)44)37(58-22(6)46)39(60-24(8)48)41(62-31)61-27-13-29(49)32-30(14-27)51-15-28(33(32)50)25-9-11-26(12-10-25)54-18(2)42/h9-15,17,31,34-41,49H,16H2,1-8H3/t17-,31+,34-,35+,36+,37-,38+,39+,40+,41+/m0/s1
SMILES CC(=O)Oc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc(O)c3c2=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia dulcis Ref.
zoom in