input word = C00040973

Metabolite InformationStructural formula
Name Glabcensin J
(-)-Glabcensin J
Formula C22H32O6
Mw 392.21988875
CAS RN 196607-54-2
C_ID C00040973 ,
InChIKey CEJZNGWWKKFKHN-OTLIPQMVNA-N
InChICode InChI=1S/C22H32O6/c1-10-12-6-13(24)16-21(5)8-14(25)19(27)20(3,4)17(21)15(28-11(2)23)9-22(16,7-12)18(10)26/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14+,15+,16+,17-,19+,21+,22+/m1/s1
SMILES [C@H]1([C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3(C[C@@H]2OC(=O)C)C[C@@H](C[C@@H]1O)C(=C)C3=O)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon angustifolius var. glabrescens Ref.
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OrganismIsodon angustifolius var. glabrescens
ReferenceZhao,Phytochem.,50,(1999),123