input word = C00012045

Metabolite InformationStructural formula
Name Micordilin
Formula C17H20O7
Mw 336.12090299
CAS RN 61701-92-6
C_ID C00012045 ,
InChIKey KIMFLFYOUFXUAC-HFTBVHNUNA-N
InChICode InChI=1S/C17H20O7/c1-7-10-4-11-8(2)16-23-13(15(20)24-16)17(11,6-21-9(3)18)5-12(10)22-14(7)19/h10-13,15-16,20H,1-2,4-6H2,3H3/t10-,11+,12-,13-,15-,16+,17+/m1/s1
SMILES C1[C@@H]2[C@H](C[C@@H]3[C@@]1([C@H]1[C@@H](O[C@@H](C3=C)O1)O)COC(=O)C)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania cordifolia Ref.
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OrganismMikania cordifolia
ReferenceHerz,J.Org.Chem.,42,(1977),1720