input word = C00045297

Metabolite InformationStructural formula
Name Echinodolide B
(+)-Echinodolide B
Formula C20H30O3
Mw 318.21949482
CAS RN 401819-66-7
C_ID C00045297 ,
InChIKey YQPCUQLZJRRTCQ-IZCVDVFQNA-N
InChICode InChI=1S/C20H30O3/c1-14(2)17-11-10-15(3)7-5-8-16-9-6-12-20(4,22)18(13-17)23-19(16)21/h7,9,13-14,18,22H,5-6,8,10-12H2,1-4H3/b15-7-,16-9-,17-13+/t18-,20-/m0/s1
SMILES C1=C2C(=O)O[C@H]([C@](CC1)(O)C)/C=C(\CC/C(=C\CC2)/C)/C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeEchinodorus macrophyllus Ref.
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