input word = C00039413

Metabolite InformationStructural formula
Name Inflexanin A
Formula C22H32O5
Mw 376.22497413
CAS RN 111536-15-3
C_ID C00039413 ,
InChIKey AFWHPJJUZOPPFV-JXLFGUAANA-N
InChICode InChI=1S/C22H32O5/c1-11-13-8-14(24)18-21(5)7-6-16(27-12(2)23)20(3,4)17(21)15(25)10-22(18,9-13)19(11)26/h13-18,24-25H,1,6-10H2,2-5H3/t13-,14+,15+,16+,17-,18+,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](C[C@@H]1O)C(=C)C3=O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
PlantaeLabiataeIsodon inflexa Ref.
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