input word = C00062353

Metabolite InformationStructural formula
Name Trimethyl octa-O-methylvaloneate
Formula C32H36O15
Mw 660.20542048
CAS RN 59252-29-8
C_ID C00062353
InChIKey UZMUDBUEZHFABW-UHFFFAOYSA-N
InChICode InChI=1S/C32H36O15/c1-36-18-12-15(30(33)44-9)21(27(41-6)24(18)38-3)22-16(31(34)45-10)13-20(26(40-5)28(22)42-7)47-23-17(32(35)46-11)14-19(37-2)25(39-4)29(23)43-8/h12-14H,1-11H3
SMILES COC(=O)c1cc(OC)c(OC)c(OC)c1Oc1cc(C(=O)OC)c(-c2c(C(=O)OC)cc(OC)c(OC)c2OC)c(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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