input word = C00048414

Metabolite InformationStructural formula
Name Hoodigoside T
(-)-Hoodigoside T
Formula C66H108O26
Mw 1316.71288362
CAS RN 1015765-07-7
C_ID C00048414 ,
InChIKey LQIZNFMXVWVSHG-VSSBPARZNA-N
InChICode InChI=1S/C66H108O26/c1-14-30(2)61(74)92-60-35(7)84-50(27-44(60)79-13)91-59-34(6)83-49(26-43(59)78-12)90-58-33(5)82-48(25-42(58)77-11)89-57-32(4)81-47(24-41(57)76-10)86-37-17-20-64(8)36(23-37)15-16-40-39(64)18-21-65(9)38(19-22-66(40,65)75)31(3)85-63-56(73)54(71)52(69)46(88-63)29-80-62-55(72)53(70)51(68)45(28-67)87-62/h14-15,31-35,37-60,62-63,67-73,75H,16-29H2,1-13H3/b30-14+/t31-,32+,33+,34+,35+,37-,38+,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,62+,63+,64-,65+,66-/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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)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](C1)OC)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)/C(=C/C)/C)OC)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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