input word = C00059321

Metabolite InformationStructural formula
Name Isolimocitrolene
Formula C18H16O9
Mw 376.07943211
CAS RN 1171-97-7
C_ID C00059321
InChIKey BWMPBUKVVAIQMC-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O9/c1-24-9-5-4-7(6-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3
SMILES COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
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