input word = C00030781

Metabolite InformationStructural formula
Name Mollugin
Formula C17H16O4
Mw 284.104859
CAS RN 55481-88-4
C_ID C00030781 ,
InChIKey VLGATXOTCNBWIT-UHFFFAOYSA-N
InChICode InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
SMILES COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGalium mollugo Ref.
PlantaeRubiaceaeRubia cordifolia L. Ref.
PlantaeRubiaceaeRubia schumannia Ref.
PlantaeRubiaceaeRubia tinctorum Ref.
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