input word = C00037766

Metabolite InformationStructural formula
Name Sagecoumarin
Formula C27H20O12
Mw 536.09547611
CAS RN 260549-30-2
C_ID C00037766 ,
InChIKey FGLLLJUSIHHQKZ-PZLIVYPANA-N
InChICode InChI=1S/C27H20O12/c28-16-4-1-14(8-17(16)29)9-23(26(34)35)38-25(33)6-3-13-2-5-21(20(32)7-13)37-24-11-15-10-18(30)19(31)12-22(15)39-27(24)36/h1-8,10-12,23,28-32H,9H2,(H,34,35)/b6-3+/t23-/m1/s1
SMILES O=C(/C=C/c1ccc(Oc2cc3cc(O)c(O)cc3oc2=O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia officinalis Ref.
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