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 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@H]5CC[C@]6(C)[C@@H]([C@H](C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(O)[C@@H]5[C@H](C=O)[C@@]4(O)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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