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 CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(C)C(=O)[C@@]3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum var.angustifolium Ref.
PlantaeHypericaceaeHypericum scabrum Ref.
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