input word = C00047809

Metabolite InformationStructural formula
Name Clinopodic acid B
(+)-Clinopodic acid B
Formula C19H18O8
Mw 374.10016755
CAS RN 1174920-55-8
C_ID C00047809 ,
InChIKey NFSDQICEPLDULQ-IRVSDRDTNA-N
InChICode InChI=1S/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+/t17-/m1/s1
SMILES COc1cc(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClinopodium chinense var. parviflorum Ref.
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