input word = C00045205

Metabolite InformationStructural formula
Name Adenanthin E
(+)-Adenanthin E
Formula C24H36O7
Mw 436.2461035
CAS RN 454703-12-9
C_ID C00045205 ,
InChIKey RAIAYDWFSUQOBH-BRKJMFFCNA-N
InChICode InChI=1S/C24H36O7/c1-11-14-7-15(27)20-23(6)16(22(4,5)18(9-17(23)28)30-12(2)25)8-19(31-13(3)26)24(20,10-14)21(11)29/h14-21,27-29H,1,7-10H2,2-6H3/t14-,15+,16-,17+,18+,19+,20+,21-,23+,24+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1O)([C@H]1[C@@]3([C@H](C2)OC(=O)C)C[C@@H](C[C@@H]1O)C(=C)[C@H]3O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
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