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@@H]12[C@]([C@@H]([C@@]3([C@H]([C@@H]4[C@@]51[C@@H]([C@H]([C@]1([C@@H]4O[C@](O1)(O5)c1ccccc1)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)O3)CO)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne cneorum Ref.
PlantaeThymelaeaceaeDaphne laureola Ref.
PlantaeThymelaeaceaeDaphne mezereum Ref.
PlantaeThymelaeaceaeDaphne striata Ref.
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OrganismDaphne cneorum
ReferenceWink, M., Mitt. Julius Kuehn-Inst., 421, (2009), 93-112.