input word = C00048418

Metabolite InformationStructural formula
Name Hoodigoside Y
(-)-Hoodigoside Y
Formula C41H68O15
Mw 800.4558215
CAS RN 1159579-93-7
C_ID C00048418 ,
InChIKey SNQPRIMCIASXEP-JZFYXDSQNA-N
InChICode InChI=1S/C41H68O15/c1-19(52-37-33(46)32(45)31(44)28(18-42)55-37)24-12-15-41(48)26-9-8-22-16-23(10-13-39(22,4)25(26)11-14-40(24,41)5)54-29-17-27(49-6)35(21(3)51-29)56-38-34(47)36(50-7)30(43)20(2)53-38/h8,19-21,23-38,42-48H,9-18H2,1-7H3/t19-,20+,21+,23-,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41-/m0/s1
SMILES C1[C@H]2[C@H]([C@@]3([C@@](C1)(C)[C@H](CC3)[C@H](C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)OC)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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