input word = C00050008

Metabolite InformationStructural formula
Name Bacrispine
Formula C20H26O5
Mw 346.17802394
CAS RN 74803-76-2
C_ID C00050008 ,
InChIKey RVZLDPWPUOTCAE-XMIZWKQMNA-N
InChICode InChI=1S/C20H26O5/c1-12-16(22)9-20-11-25-18(23)14(20)3-4-15(21)17(20)19(12,2)7-5-13-6-8-24-10-13/h3,6,8,10,12,15-17,21-22H,4-5,7,9,11H2,1-2H3/t12-,15+,16-,17-,19+,20-/m1/s1
SMILES [C@@H]1([C@H]([C@@]([C@@H]2[C@@]3(C1)C(=CC[C@@H]2O)C(=O)OC3)(CCc1cocc1)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis crispa Ref.
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