input word = C00002770

Metabolite InformationStructural formula
Name Labiatenic acid
Rosmarinic acid
Formula C18H16O8
Mw 360.08451749
CAS RN 20283-92-5
C_ID C00002770 ,
InChIKey DOUMFZQKYFQNTF-LBOXRDHUNA-N
InChICode InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
SMILES c1(c(ccc(c1)/C=C/C(=O)O[C@H](Cc1cc(c(cc1)O)O)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAnethum spp. Ref.
PlantaeApiaceaeAstrantia major Ref.
PlantaeApiaceaeLigusticum spp. Ref.
PlantaeApiaceaeSanicula europaea Ref.
PlantaeApiaceaeSanicula spp. Ref.
PlantaeAraceaeAnthurium versicolor Ref.
PlantaeBoraginaceaeLindelofia stylosa Ref.
PlantaeBoraginaceaeSymphytum officinale Ref.
PlantaeHeliotropiaceaeTournefortia sarmentosa Ref.
PlantaeLabiataeClinopodium chinense var. parviflorum Ref.
PlantaeLabiataeElsholtzia rugulosa Hemsl. Ref.
PlantaeLabiataeMelissa officinalis Ref.
PlantaeLabiataeMentha haplocalyx Ref.
PlantaeLabiataeMentha piperita Ref.
PlantaeLabiataeNepeta cadmea Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataePerilla frutescens var.acuta. Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia bowleyana Ref.
PlantaeLabiataeSalvia cavaleriei Ref.
PlantaeLabiataeSalvia chinensis Ref.
PlantaeLabiataeSalvia flava Ref.
PlantaeLabiataeSalvia lavandulifolia Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLabiataeSalvia prionitis Ref.
PlantaeLabiataeSalvia sonchifolia Ref.
PlantaeLabiataeSalvia yunnanensis Ref.
PlantaeLabiataeTeucrium scorodonia Ref.
PlantaeLabiataeThymus vulgaris Ref.
PlantaeMalvaceaeHelicteres angustifolia Ref.
PlantaeMalvaceaeHelicteres isora Ref.
PlantaeMalvaceaeHelicteres isora L. Ref.
--Robdosia coetsa Ref.
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