input word = C00012286

Metabolite InformationStructural formula
Name Melrosin C
Formula C24H28O9
Mw 460.17333249
CAS RN 88099-89-2
C_ID C00012286 ,
InChIKey TZWQGZRXPQFHSI-BXIATTARNA-N
InChICode InChI=1S/C24H28O9/c1-12(2)21(26)32-19-16(24(29)30-6)9-7-8-15(11-25)10-17-18(14(5)23(28)31-17)20(19)33-22(27)13(3)4/h9-10,17-20,25H,1,3,5,7-8,11H2,2,4,6H3/b15-10+,16-9+/t17-,18+,19+,20+/m1/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)/C=C(\CC/C=C(\[C@@H]([C@H]2OC(=O)C(=C)C)OC(=O)C(=C)C)/C(=O)OC)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium rosei Ref.
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OrganismMelampodium rosei
ReferenceSeaman,Phytochem.,18,(1979),1065

Seaman,Phytochem.,19,(1980),583

Olivier,J.Org.Chem.,45,(1980),4028

Olivier,J.Org.Chem.,45,(1983),1453