input word = C00011763

Metabolite InformationStructural formula
Name Melnerin B
Formula C21H30O7
Mw 394.19915331
CAS RN 67927-56-4
C_ID C00011763 ,
InChIKey PMLDPELCCCGCIU-FSFXBWBCNA-N
InChICode InChI=1S/C21H30O7/c1-5-12(2)19(23)27-17-10-15(21(25)26-4)8-6-7-14(11-22)9-16-18(17)13(3)20(24)28-16/h8,12,14,16-18,22H,3,5-7,9-11H2,1-2,4H3/b15-8+/t12-,14-,16+,17+,18-/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](CO)CC/C=C(/C(=O)OC)C[C@@H](OC(=O)C(C)CC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium cinereum Ref.
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