input word = C00057336

Metabolite InformationStructural formula
Name Pyrohyperforin
Formula C35H50O4
Mw 534.37091008
CAS RN 303115-46-0
C_ID C00057336
InChIKey FSQFBVMRHUNWAT-ASSHYCDZSA-N
InChICode InChI=1S/C35H50O4/c1-22(2)13-12-18-33(11)26(15-14-23(3)4)21-34(20-16-24(5)6)30-27(17-19-32(9,10)39-30)29(37)35(33,31(34)38)28(36)25(7)8/h13-14,16-17,19,25-26H,12,15,18,20-21H2,1-11H3/t26-,33+,34+,35-/m0/s1
SMILES CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum Ref.
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