input word = C00003322

Metabolite InformationStructural formula
Name Melampodin A
Formula C21H24O9
Mw 420.14203237
CAS RN 35852-26-7
C_ID C00003322 ,
InChIKey ZFFQDPLDTMMAKO-NYQKKKRHNA-N
InChICode InChI=1S/C21H24O9/c1-8-6-12-14(9(2)18(23)28-12)17(29-20(25)21(4)10(3)30-21)15(22)11(19(24)26-5)7-13-16(8)27-13/h6-7,10,12-17,22H,2H2,1,3-5H3/b8-6+,11-7+/t10-,12+,13-,14+,15+,16+,17+,21-/m1/s1
SMILES C\1=C(\[C@@H]([C@H]([C@@H]2[C@H](/C=C(/[C@H]3[C@@H]1O3)\C)OC(=O)C2=C)OC(=O)[C@]1([C@H](O1)C)C)O)/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium heterophyllum Ref.
PlantaeAsteraceaeMelampodium leucanthum Ref.
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OrganismMelampodium leucanthum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51