input word = C00012291

Metabolite InformationStructural formula
Name Melcanthin G
Formula C23H30O9
Mw 450.18898256
CAS RN 79405-84-8
C_ID C00012291 ,
InChIKey WZGLSXXHBBQBMZ-BXIATTARNA-N
InChICode InChI=1S/C23H30O9/c1-6-12(2)21(26)32-19-16(23(28)29-5)9-7-8-15(11-24)10-17-18(13(3)22(27)31-17)20(19)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(=O)C(C)CC)C(OC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium cinereum Ref.
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