input word = C00035646

Metabolite InformationStructural formula
Name Hoodigoside C
(-)-Hoodigoside C
Formula C54H86O18
Mw 1022.58141594
CAS RN 946409-66-1
C_ID C00035646 ,
InChIKey KRNYAGXXMXIIDU-FYIJYKHCNA-N
InChICode InChI=1S/C54H86O18/c1-14-26(2)50(58)69-40-22-36-35(54(59)20-18-34(27(3)55)53(40,54)9)16-15-32-21-33(17-19-52(32,36)8)68-41-23-37(60-10)46(29(5)64-41)70-42-24-38(61-11)47(30(6)65-42)71-43-25-39(62-12)48(31(7)66-43)72-51-45(57)49(63-13)44(56)28(4)67-51/h14-15,28-31,33-49,51,56-57,59H,16-25H2,1-13H3/b26-14+/t28-,29-,30-,31-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44-,45-,46-,47-,48-,49+,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](C1)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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