input word = C00048416

Metabolite InformationStructural formula
Name Hoodigoside W
(+)-Hoodigoside W
Formula C54H86O18
Mw 1022.58141594
CAS RN 1159579-91-5
C_ID C00048416 ,
InChIKey RMTXVGWFXARMSZ-KVOUIVPMNA-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)68-41-24-38(61-11)46(29(5)65-41)70-43-25-39(62-12)47(30(6)66-43)72-51-45(57)49(63-13)48(31(7)67-51)71-42-23-37(60-10)44(56)28(4)64-42/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]2[C@H]([C@@]3([C@@]([C@@H]1OC(=O)/C(=C/C)/C)(C)[C@H](CC3)C(=O)C)O)CC=C1[C@@]2(CC[C@@H](C1)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]1C[C@H]([C@@H]([C@H](O1)C)O)OC)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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