input word = C00037111

Metabolite InformationStructural formula
Name Episamarcandin
Formula C24H32O5
Mw 400.22497413
CAS RN 61490-17-3
C_ID C00037111 ,
InChIKey WNANPKYNOALKIV-BLUBVRLZNA-N
InChICode InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3/t18-,19+,20-,23+,24+/m0/s1
SMILES [C@]1(CC[C@@H]2[C@]([C@H]1COc1cc3c(cc1)ccc(=O)o3)(CC[C@@H](C2(C)C)O)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula assa-foetida Ref.
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