input word = C00048409

Metabolite InformationStructural formula
Name Hoodigoside O
(-)-Hoodigoside O
Formula C52H84O21
Mw 1044.55050975
CAS RN 1015765-02-2
C_ID C00048409 ,
InChIKey WBBCTOKMKWQACG-NACZLHCDNA-N
InChICode InChI=1S/C52H84O21/c1-10-23(2)46(61)72-44-26(5)68-49(42(60)45(44)64-9)73-43-25(4)66-35(20-32(43)63-8)69-28-13-16-50(6)27(19-28)11-12-31-30(50)14-17-51(7)29(15-18-52(31,51)62)24(3)67-48-41(59)39(57)37(55)34(71-48)22-65-47-40(58)38(56)36(54)33(21-53)70-47/h10-11,24-26,28-45,47-49,53-60,62H,12-22H2,1-9H3/b23-10+/t24-,25+,26+,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,47+,48+,49-,50-,51+,52-/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]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)/C(=C/C)/C)OC)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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