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 c1ccc2c(c1)c1c(c(c2O)C(=O)OC)C=CC(O1)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGalium mollugo Ref.
PlantaeRubiaceaeRubia cordifolia L. Ref.
PlantaeRubiaceaeRubia schumannia Ref.
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OrganismGalium mollugo
ReferenceLiu, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 20, (1985), 53.

Itokawa, et al., Chem Pharm Bull, 31, (1983), 2353.

Kinghorn, et al., Planta Med, 70, (2004), 691