input word = C00044764

Metabolite InformationStructural formula
Name Funingenoside A
(-)-Funingenoside A
Formula C44H66O19
Mw 898.41982993
CAS RN 587876-14-0
C_ID C00044764 ,
InChIKey UTLCYLWFMDQSCF-MCKLOLJSNA-N
InChICode InChI=1S/C44H66O19/c1-19-37(63-40-36(53)34(51)32(49)27(62-40)18-57-39-35(52)33(50)31(48)26(16-45)61-39)25(55-5)15-30(58-19)60-24-8-10-42(3)23(38(24)59-20(2)46)7-13-44-12-6-22(21-14-29(47)56-17-21)43(4,41(44)54)11-9-28(42)44/h14,19,22-28,30-40,45,48-53H,6-13,15-18H2,1-5H3/t19-,22+,23-,24-,25+,26+,27+,28+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,42-,43+,44-/m0/s1
SMILES [C@@]12([C@H](CC[C@]3([C@H](CC1)[C@@]1([C@@H](CC3)[C@H]([C@H](CC1)O[C@@H]1O[C@H]([C@@H]([C@@H](C1)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)OC(=O)C)C)C2=O)C1=CC(=O)OC1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeParepigynum funingense Ref.
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