input word = C00048420

Metabolite InformationStructural formula
Name Hoodistanaloside A
Formula C46H74O18
Mw 914.48751556
CAS RN 1159579-96-0
C_ID C00048420 ,
InChIKey DKFHSGBKZJIVMD-PTOHYTNMNA-N
InChICode InChI=1S/C46H74O18/c1-10-21(2)40(53)63-38-24(5)60-42(36(52)39(38)57-9)64-37-23(4)58-31(17-29(37)56-8)61-25-11-14-44(7)27-12-15-43(6)26(13-16-45(43,54)32(27)28(19-47)46(44,55)18-25)22(3)59-41-35(51)34(50)33(49)30(20-48)62-41/h10,19,22-39,41-42,48-52,54-55H,11-18,20H2,1-9H3/b21-10+/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39+,41+,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)C[C@@]4([C@H]([C@@H]3[C@]2(CC1)O)C=O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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