input word = C00048421

Metabolite InformationStructural formula
Name Hoodistanaloside B
Formula C46H72O17
Mw 896.47695088
CAS RN 1159579-97-1
C_ID C00048421 ,
InChIKey FDUAQIONTUDZAQ-SOLAFICLNA-N
InChICode InChI=1S/C46H72O17/c1-10-21(2)41(53)62-39-24(5)59-43(37(52)40(39)56-9)63-38-23(4)57-32(18-30(38)55-8)60-25-11-14-44(6)28-12-15-45(7)27(13-16-46(45,54)33(28)26(19-47)29(44)17-25)22(3)58-42-36(51)35(50)34(49)31(20-48)61-42/h10,19,22-25,27-28,30-40,42-43,48-52,54H,11-18,20H2,1-9H3/b21-10+/t22-,23+,24+,25-,27+,28-,30-,31+,32-,33+,34-,35-,36+,37+,38+,39+,40+,42+,43-,44+,45+,46-/m0/s1
SMILES O([C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)[C@H]([C@@H]1[C@]2(CC[C@@H]3[C@]4(CC[C@H](O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OC)OC(=O)/C(=C/C)/C)C)OC)CC4=C([C@H]3[C@]2(CC1)O)C=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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