input word = C00048412

Metabolite InformationStructural formula
Name Hoodigoside R
(-)-Hoodigoside R
Formula C65H106O28
Mw 1334.68706281
CAS RN 1015765-05-5
C_ID C00048412 ,
InChIKey UVNZPEYCRKYEFD-BYSUVRIYNA-N
InChICode InChI=1S/C65H106O28/c1-12-28(2)59(76)93-58-32(6)85-46(24-40(58)80-11)92-57-31(5)84-45(23-39(57)79-10)91-56-30(4)83-44(22-38(56)78-9)87-34-15-18-63(7)33(21-34)13-14-37-36(63)16-19-64(8)35(17-20-65(37,64)77)29(3)86-62-55(75)52(72)49(69)43(90-62)27-82-61-54(74)51(71)48(68)42(89-61)26-81-60-53(73)50(70)47(67)41(25-66)88-60/h12-13,29-32,34-58,60-62,66-75,77H,14-27H2,1-11H3/b28-12+/t29-,30+,31+,32+,34-,35+,36-,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,60+,61+,62+,63-,64+,65-/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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)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)OC(=O)/C(=C/C)/C)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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OrganismHoodia gordonii
ReferenceShukla,Phytochem.,70,(2009),675