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@@H]12[C@]([C@H]([C@@H]3[C@H](C[C@H]1C)OC(=O)C3=C)OC(=O)C)(C(=O)CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeErigeron khorassanicus Ref.
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