input word = C00061148

Metabolite InformationStructural formula
Name Dihydroxybergamottin
Formula C21H24O6
Mw 372.1572885
CAS RN 264234-05-1
C_ID C00061148
InChIKey IXZUPBUEKFXTSD-INMULRNOSA-N
InChICode InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+/t18-/m1/s1
SMILES CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CCC(O)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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