input word = C00033922

Metabolite InformationStructural formula
Name Hugonone A
Formula C36H52O6
Mw 580.37638939
CAS RN 217197-52-9
C_ID C00033922 ,
InChIKey AHKAJNLWAZYDIO-BMKLUNAZNA-N
InChICode InChI=1S/C36H52O6/c1-30(2)19-10-9-18-25(33(19,6)15-13-23(30)38)27-29(40)35(8,42)26(18)28-34(7,41)24(39)17-21-32(5)14-12-22(37)31(3,4)20(32)11-16-36(21,27)28/h17,19-20,22-23,26-28,37-38,41-42H,9-16H2,1-8H3/t19-,20-,22+,23-,26?,27?,28-,32?,33?,34-,35+,36-/m0/s1
SMILES [C@@]123[C@@H]([C@H]4[C@](C(=O)[C@@H]1C1=C4CC[C@@H]4[C@@]1(CC[C@@H](C4(C)C)O)C)(O)C)[C@](C(=O)C=C2[C@@]1([C@@H](CC3)C([C@@H](CC1)O)(C)C)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeHugonia castaneifolia Ref.
PlantaeLinaceaeHugonia casteneifolia Ref.
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OrganismHugonia casteneifolia
ReferenceMdee,Phytochem.,49,(1998),1107