input word = C00003307

Metabolite InformationStructural formula
Name Isohelenol
Formula C15H18O5
Mw 278.11542369
CAS RN 71013-32-6
C_ID C00003307 ,
InChIKey HNDYFBSTNFZJEB-QVNNOCPKNA-N
InChICode InChI=1S/C15H18O5/c1-7-5-10-12(8(6-16)14(19)20-10)13(18)15(2)9(7)3-4-11(15)17/h3-4,7,9-10,13,16,18H,5-6H2,1-2H3/t7-,9-,10-,13+,15+/m1/s1
SMILES C[C@@H]1C[C@H]2OC(=O)C(CO)=C2[C@H](O)[C@]2(C)C(=O)C=C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium microcephalum Ref.
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