input word = C00012290

Metabolite InformationStructural formula
Name Melcanthin F
Formula C23H30O9
Mw 450.18898256
CAS RN 79405-85-9
C_ID C00012290 ,
InChIKey ADKMBPLXSBSCDE-BXIATTARNA-N
InChICode InChI=1S/C23H30O9/c1-6-12(2)21(26)32-20-18-13(3)22(27)31-17(18)10-15(11-24)8-7-9-16(23(28)29-5)19(20)30-14(4)25/h9-10,12,17-20,24H,3,6-8,11H2,1-2,4-5H3/b15-10-,16-9-/t12-,17-,18+,19+,20-/m0/s1
SMILES C=C1C(=O)OC2/C=C(CO)CC/C=C(/C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)CC)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium cinereum Ref.
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