input word = C00030500

Metabolite InformationStructural formula
Name Hyperibone J
Formula C31H46O5
Mw 498.33452458
CAS RN 682343-47-1
C_ID C00030500 ,
InChIKey SBGHJZAAIGGLGH-MKDZJMRNNA-N
InChICode InChI=1S/C31H46O5/c1-19(2)12-11-16-27(9)23(14-13-20(3)4)18-28(10)25(33)29(17-15-21(5)6)26(34)30(27,24(32)22(7)8)31(28,35)36-29/h12-13,15,22-23,35H,11,14,16-18H2,1-10H3/t23-,27+,28+,29+,30+,31-/m0/s1
SMILES [C@@H]1(C[C@]2([C@]3([C@@]([C@]1(C)CCC=C(C)C)(C(=O)[C@@](O3)(CC=C(C)C)C2=O)C(=O)C(C)C)O)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum var.angustifolium Ref.
PlantaeHypericaceaeHypericum scabrum Ref.
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OrganismHypericum perforatum var.angustifolium
ReferenceHashida,Chem.Pharm.Bull.,56,(2008),1164