input word = C00020435

Metabolite InformationStructural formula
Name Graminichlorin
Formula C22H27ClO9
Mw 470.13436017
CAS RN 53142-40-8
C_ID C00020435 ,
InChIKey UYIUZKCMTKDYRT-OXHATASRNA-N
InChICode InChI=1S/C22H27ClO9/c1-9(5-6-29-11(3)24)19(26)30-12-7-22(28,8-23)14-15(21(4)18(32-21)16(14)25)17-13(12)10(2)20(27)31-17/h5,12-18,25,28H,2,6-8H2,1,3-4H3/b9-5-/t12-,13+,14-,15-,16+,17+,18+,21-,22-/m0/s1
SMILES C=C1C(=O)O[C@H]2C1C(OC(=O)/C(C)=CCOC(C)=O)C[C@](O)(CCl)[C@@H]1C(O)[C@H]3O[C@@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris spp. Ref.
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OrganismLiatris spp.
ReferenceHerz,J. Org. Chem.,40,(1975),199