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 C/C=C(C)C(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@@H](OC)[C@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@H](OC)[C@H]7O)[C@H](OC)[C@H]6O)[C@@H](C)O5)[C@@H](C)O4)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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