input word = C00021136

Metabolite InformationStructural formula
Name Isoheleniamarin
Formula C17H22O5
Mw 306.14672381
CAS RN 6586-77-2
C_ID C00021136 ,
InChIKey RTZXXBPATUWPKS-NYQPIULYNA-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/h5,8-9,12,14-15H,6-7H2,1-4H3/t8-,9-,12+,14+,15-,17+/m1/s1
SMILES CC(=O)O[C@@H]1[C@H]2[C@H](C[C@@H](C)C3=CCC(=O)[C@]31C)OC(=O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium amarum Ref.
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