input word = C00012174

Metabolite InformationStructural formula
Name Hallerin
Formula C20H30O4
Mw 334.21440945
CAS RN 88125-88-6
C_ID C00012174 ,
InChIKey STIMKRWEFJAFHV-MZERUHARNA-N
InChICode InChI=1S/C20H30O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,15-18,20,22H,7,9-10H2,1-5H3/b12-8+,13-11+,14-6-/t15-,16-,17+,18+,20+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H]1C/C(C)=C/CC/C(C)=C/[C@@H]2O[C@@H](O)[C@@H](C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLaserpitium halleri Ref.
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