input word = C00040205

Metabolite InformationStructural formula
Name Sampsonione B
(-)-Sampsonione B
Formula C33H42O5
Mw 518.30322445
CAS RN 217307-34-1
C_ID C00040205 ,
InChIKey HYZGTOOAZWONDC-UHFFFAOYNA-N
InChICode InChI=1S/C33H42O5/c1-20(2)14-16-30-18-23-24-28(5,6)19-38-33(30,37)31(24,17-15-21(3)4)27(36)32(26(30)35,29(23,7)8)25(34)22-12-10-9-11-13-22/h9-15,23-24,37H,16-19H2,1-8H3/t23-,24-,30-,31+,32+,33-/m0/s1
SMILES CC(C)=CCC12CC3C4C(C)(C)COC1(O)C4(CC=C(C)C)C(=O)C(C(=O)c1ccccc1)(C2=O)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum sampsonii Ref.
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