input word = C00035647

Metabolite InformationStructural formula
Name Hoodigoside D
(-)-Hoodigoside D
Formula C54H86O19
Mw 1038.57633057
CAS RN 946409-67-2
C_ID C00035647 ,
InChIKey NGOPWLMMSZURID-LOWVBIDENA-N
InChICode InChI=1S/C54H86O19/c1-14-25(2)49(59)70-38-22-35-34(54(60)20-18-33(26(3)55)53(38,54)9)16-15-31-21-32(17-19-52(31,35)8)69-39-23-36(61-10)44(28(5)65-39)71-40-24-37(62-11)45(29(6)66-40)72-51-43(58)48(64-13)46(30(7)68-51)73-50-42(57)47(63-12)41(56)27(4)67-50/h14-15,27-30,32-48,50-51,56-58,60H,16-24H2,1-13H3/b25-14+/t27-,28-,29-,30-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,50+,51+,52+,53+,54+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1C(=O)C)O)C)OC(=O)/C(=C/C)/C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)OC)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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OrganismHoodia gordonii
ReferenceHeerden,J.Ethnopharmacol.,119,(2008),434