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@H]12[C@]([C@H]3[C@@H]([C@H]1O)[C@](C[C@@H]([C@@H]1[C@H]3OC(=O)C1=C)OC(=O)/C(=C\COC(=O)C)/C)(CCl)O)(O2)C
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