input word = C00030332

Metabolite InformationStructural formula
Name Furohyperforin
Formula C36H54O5
Mw 566.39712483
CAS RN 292164-22-8
C_ID C00030332 ,
InChIKey FBBDPYYKVMTRAB-UAVVOXEFNA-N
InChICode InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25-,26-,28-,34+,35-,36-/m0/s1
SMILES [C@@]12([C@]([C@H](C[C@]3(C(=C(C1=O)CC=C(C)C)O[C@@H](C3)C(C)(O)C)C2=O)CC=C(C)C)(C)CCC=C(C)C)C(=O)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum var.angustifolium Ref.
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OrganismHypericum perforatum var.angustifolium
ReferenceHashida,Chem.Pharm.Bull.,56,(2008),1164