input word = C00032005

Metabolite InformationStructural formula
Name Melissoidesin I
(+)-Melissoidesin I
Formula C22H34O6
Mw 394.23553882
CAS RN 640270-39-9
C_ID C00032005 ,
InChIKey IZYFVNNZSKOJBA-JNGGZPJPNA-N
InChICode InChI=1S/C22H34O6/c1-11(24)27-15-5-6-20(4)16(19(15,2)3)13(25)9-21-8-12-7-14(17(20)21)28-22(12,10-23)18(21)26/h12-18,23,25-26H,5-10H2,1-4H3/t12-,13+,14+,15+,16-,17+,18+,20-,21+,22-/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3(C[C@@H]2O)C[C@H]2C[C@@H]1O[C@]2([C@H]3O)CO)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon melissoides Ref.
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OrganismIsodon melissoides
ReferenceZhao,Chem.Pharm.Bull.,52,(2003),845