input word = C00042583

Metabolite InformationStructural formula
Name Hippuristerone J
(-)-Hippuristerone J
Formula C35H54O10
Mw 634.37169795
CAS RN 868395-82-8
C_ID C00042583 ,
InChIKey INZHZQBWXVTCHA-XJLJJUSTNA-N
InChICode InChI=1S/C35H54O10/c1-19(20(2)33(8,41)17-42-21(3)36)30(44-23(5)38)34(18-43-22(4)37)35(45-34)29(40)16-28-26-10-9-24-15-25(39)11-13-31(24,6)27(26)12-14-32(28,35)7/h19-20,24,26-30,40-41H,9-18H2,1-8H3/t19-,20-,24-,26+,27-,28-,29-,30+,31-,32-,33+,34-,35-/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@]1([C@H](C3)O)[C@@](O1)([C@@H]([C@H]([C@@H]([C@@](C)(COC(=O)C)O)C)C)OC(=O)C)COC(=O)C)C)CC[C@@H]1[C@@]2(CCC(=O)C1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Isis hippuris Ref.
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