input word = C00012237

Metabolite InformationStructural formula
Name Melcanthin C
Formula C22H28O10
Mw 452.16824712
CAS RN 68024-39-5
C_ID C00012237 ,
InChIKey ITNBCDHJIVJLJO-BVENVTSENA-N
InChICode InChI=1S/C22H28O10/c1-10(2)20(26)32-19-17-11(3)21(27)31-16(17)7-13(9-23)6-14(25)8-15(22(28)29-5)18(19)30-12(4)24/h7-8,10,14,16-19,23,25H,3,6,9H2,1-2,4-5H3/b13-7+,15-8+/t14-,16+,17-,18-,19+/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(\C[C@H](/C=C(\[C@H]([C@H]2OC(=O)C(C)C)OC(=O)C)/C(=O)OC)O)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium leucanthum Ref.
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