input word = C00003420

Metabolite InformationStructural formula
Name Daphnetoxin
Formula C27H30O8
Mw 482.19406794
CAS RN 28164-88-7
C_ID C00003420 ,
InChIKey LGEROVMQYFTBDI-IQVGRDBINA-N
InChICode InChI=1S/C27H30O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-10,15,17-18,20-22,28,30-31H,1,11-12H2,2-4H3/t15-,17-,18+,20-,21+,22-,23-,24+,25-,26+,27+/m1/s1
SMILES [C@@H]12[C@]([C@@H]([C@@]3([C@H]([C@H]4[C@@]51[C@@H](C[C@]1([C@@H]4O[C@@](O1)(O5)c1ccccc1)C(=C)C)C)O3)CO)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne mezereum Ref.
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