input word = C00003323

Metabolite InformationStructural formula
Name Melampodinin
Melampodinin A
Formula C25H30O12
Mw 522.17372642
CAS RN 60295-53-6
C_ID C00003323 ,
InChIKey MMVDOOAKJHDAMB-ODEUIRTRNA-N
InChICode InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8+,15-9+/t12-,16-,17+,18-,19-,20-,21-,25+/m0/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@@]([C@@H](OC(=O)C)C)(O)C)OC(=O)C)/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium americanum Ref.
PlantaeAsteraceaeMelampodium diffusum Ref.
PlantaeAsteraceaeMelampodium leucanthum Ref.
PlantaeAsteraceaeMelampodium longipes Ref.
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OrganismMelampodium diffusum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51