input word = C00056346

Metabolite InformationStructural formula
Name Isoyatein
Formula C22H24O7
Mw 400.15220312
CAS RN 101751-72-8
C_ID C00056346
InChIKey HHRGVAZECZEYPH-JKSUJKDBSA-N
InChICode InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)6-15-11-27-22(23)16(15)7-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
SMILES COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper cubeba Ref.
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