input word = C00041317

Metabolite InformationStructural formula
Name Adenolin E
Formula C23H34O8
Mw 438.22536806
CAS RN 146436-20-6
C_ID C00041317 ,
InChIKey ROMQEKCQDQVNAP-LYQKAVNUNA-N
InChICode InChI=1S/C23H34O8/c1-11(24)31-15-5-6-20(2,3)17-19(27)23(28)22-8-12(13(9-29-4)18(22)26)7-14(25)16(22)21(15,17)10-30-23/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13-,14+,15+,16-,17-,19+,21-,22?,23?/m1/s1
SMILES C1CC([C@@H]2[C@]3([C@H]1OC(=O)C)[C@@H]1[C@]4([C@]([C@H]2O)(O)OC3)C(=O)[C@@H]([C@H](C[C@@H]1O)C4)COC)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon parvifolius Ref.
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