input word = C00050086

Metabolite InformationStructural formula
Name Ecliptalbine
(-)-Ecliptalbine
Formula C27H39NO2
Mw 409.2980795
CAS RN 215805-00-8
C_ID C00050086 ,
InChIKey RODDEOSIMRCKKR-QIYJZKIXNA-N
InChICode InChI=1S/C27H39NO2/c1-16-13-24(30)25(28-15-16)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,13,15,17,19-23,29-30H,6-12,14H2,1-4H3/t17-,19+,20+,21-,22+,23+,26+,27+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@@](C1)([C@H](CC3)[C@@H](C)c1c(cc(cn1)C)O)C)CC=C1[C@@]2(CC[C@@H](C1)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEclipta alba Ref.
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