input word = C00035651

Metabolite InformationStructural formula
Name Hoodigoside I
(+)-Hoodigoside I
Formula C60H96O22
Mw 1168.63932475
CAS RN 946409-71-8
C_ID C00035651 ,
InChIKey CTEPYEUIZNZLPO-SADHPIKWNA-N
InChICode InChI=1S/C60H96O22/c1-14-28(2)56(66)78-44-22-38-37(60(67)20-18-36(29(3)62)59(44,60)9)16-15-34-21-35(17-19-58(34,38)8)76-45-23-39(68-10)52(30(4)72-45)79-46-24-40(69-11)53(31(5)73-46)80-47-25-41(70-12)54(32(6)74-47)81-48-26-42(71-13)55(33(7)75-48)82-57-51(65)50(64)49(63)43(27-61)77-57/h14-15,30-33,35-55,57,61,63-65,67H,16-27H2,1-13H3/b28-14+/t30-,31-,32-,33-,35+,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49-,50+,51-,52-,53-,54-,55-,57+,58+,59+,60+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1C(=O)C)O)C)OC(=O)/C(=C/C)/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)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)O)O)CO)OC)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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