input word = C00003454

Metabolite InformationStructural formula
Name Mezerein
Formula C38H38O10
Mw 654.24649744
CAS RN 34807-41-5
C_ID C00003454 ,
InChIKey DLEDLHFNQDHEOJ-QGPQCNRLNA-N
InChICode InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38-/m1/s1
SMILES C=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne cneorum Ref.
PlantaeThymelaeaceaeDaphne laureola Ref.
PlantaeThymelaeaceaeDaphne mezereum Ref.
PlantaeThymelaeaceaeDaphne striata Ref.
zoom in