input word = C00040968

Metabolite InformationStructural formula
Name Glabcensin E
(-)-Glabcensin E
Formula C26H36O9
Mw 492.23593275
CAS RN 196607-49-5
C_ID C00040968 ,
InChIKey OTGJHZVYFNKBOP-NGGMCDFYNA-N
InChICode InChI=1S/C26H36O9/c1-11-15-8-16(30)19-25(7)10-17(31)22(34-13(3)28)24(5,6)20(25)18(33-12(2)27)23(35-14(4)29)26(19,9-15)21(11)32/h15-20,22-23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18-,19+,20-,22+,23+,25-,26+/m1/s1
SMILES [C@H]1([C@@H](C([C@@H]2[C@](C1)([C@H]1[C@@]3([C@H]([C@@H]2OC(=O)C)OC(=O)C)C[C@@H](C[C@@H]1O)C(=C)C3=O)C)(C)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon angustifolius var. glabrescens Ref.
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