input word = C00034406

Metabolite InformationStructural formula
Name Adhyperforin
Formula C36H54O4
Mw 550.40221021
CAS RN 143183-63-5
C_ID C00034406 ,
InChIKey DHPDSOCOUJHGHE-RMIAUXLJNA-N
InChICode InChI=1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,39H,12-13,17-18,20-22H2,1-11H3/t27-,28-,34+,35+,36-/m0/s1
SMILES C1(=C([C@@]2([C@]([C@H](C[C@](C1=O)(C2=O)CC=C(C)C)CC=C(C)C)(C)CCC=C(C)C)C(=O)[C@@H](C)CC)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum Ref.
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OrganismHypericum perforatum
ReferenceTatsis,Phytochem.,68,(2007),383