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 C/C=C(C)C(=O)O[C@H]1[C@H](OC)[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=C(C=O)[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]54O)C3)O[C@@H]2C)O[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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