input word = C00056406

Metabolite InformationStructural formula
Name Furoadhyperforin A
Formula C36H54O5
Mw 566.39712483
CAS RN 1064067-44-2
C_ID C00056406
InChIKey XVCBTZARYCTEAR-DPAIRFDSSA-N
InChICode InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27-20-28(33(9,10)40)41-31(27)35(32(36)39,19-17-24(6)7)21-26(16-15-23(4)5)34(36,11)18-13-14-22(2)3/h14-15,17,25-26,28,40H,12-13,16,18-21H2,1-11H3/t25?,26-,28-,34+,35+,36-/m0/s1
SMILES OC(C)(C)[C@H](C1)OC([C@@]2(C/C=C(C)/C)C[C@H](C/C=C(C)/C)[C@@](C)(CC/C=C(C)/C)[C@@]3(C2=O)C(C(C)CC)=O)=C1C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum var. angustifolium Ref.
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