input word = C00020264

Metabolite InformationStructural formula
Name Iresin
Formula C15H22O4
Mw 266.15180919
CAS RN 468-72-4
C_ID C00020264 ,
InChIKey KGNKJLSLHCPWOB-KWBDKLLANA-N
InChICode InChI=1S/C15H22O4/c1-14-6-5-12(17)15(2,8-16)11(14)4-3-9-10(14)7-19-13(9)18/h3,10-12,16-17H,4-8H2,1-2H3/t10-,11+,12-,14+,15+/m1/s1
SMILES C1[C@H]([C@]([C@@H]2[C@@](C1)([C@H]1C(=CC2)C(=O)OC1)C)(CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeIresine celosioides Ref.
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