input word = C00021185

Metabolite InformationStructural formula
Name Heleniamarin
Formula C17H22O5
Mw 306.14672381
CAS RN 66607-74-7
C_ID C00021185 ,
InChIKey OVNGADDROTVNLA-OOKCZRHGNA-N
InChICode InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5,8,10,12-13,20H,6-7H2,1-4H3/t8-,10+,12-,13-,15+,16+,17+/m1/s1
SMILES [C@@H]1(C2=CCC(=O)[C@]2([C@H]2[C@H]3[C@H](C1)OC(=O)[C@]3([C@@](O2)(C)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium amarum Ref.
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