input word = C00045939

Metabolite InformationStructural formula
Name Ferupennin H
(+)-Ferupennin H
Formula C22H26O8
Mw 418.16276781
CAS RN 486437-96-1
C_ID C00045939 ,
InChIKey CYHCRTITWHTHSY-VJKTUQPXNA-N
InChICode InChI=1S/C22H26O8/c1-6-10(2)20(26)28-15-8-13(9-23)17-14(25)7-11(3)16(17)19-18(15)22(5,21(27)29-19)30-12(4)24/h6-7,15-16,18-19,23H,8-9H2,1-5H3/b10-6-/t15-,16+,18+,19-,22-/m0/s1
SMILES C/C=C(/C)C(=O)OC1CC(CO)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula penninervis Ref.
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