input word = C00012288

Metabolite InformationStructural formula
Name Melcanthin D
Formula C22H26O9
Mw 434.15768243
CAS RN 79405-87-2
C_ID C00012288 ,
InChIKey HRJBNNMVNJWIPJ-WGRWWMGRNA-N
InChICode InChI=1S/C22H26O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8-9,16-19,23H,1,3,6-7,10H2,2,4-5H3/b14-9-,15-8+/t16-,17+,18+,19-/m0/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(=O)OC)\CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium cinereum Ref.
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OrganismMelampodium cinereum
ReferenceKlimash,Phytochem.,20,(1981),840