input word = C00021090

Metabolite InformationStructural formula
Name Ergolide
Dihydrobigelovin
Formula C17H22O5
Mw 306.14672381
CAS RN 54999-07-4
C_ID C00021090 ,
InChIKey JCDZXDWMCKMXFF-BNDGFQIBNA-N
InChICode InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11+,12+,14+,15+,17+/m1/s1
SMILES C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeErigeron khorassanicus Ref.
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