input word = C00051221

Metabolite InformationStructural formula
Name Laxiflorin M
Formula C22H28O7
Mw 404.18350325
CAS RN 481649-66-5
C_ID C00051221
InChIKey SKMNKANUBIXNBF-LQTNVNDQNA-N
InChICode InChI=1S/C22H28O7/c1-10-18(29-11(2)23)21-8-20(10,27)6-5-12(21)22-9-28-14(7-13(22)24)19(3,4)16(22)15(25)17(21)26/h12,14-16,18,25,27H,1,5-9H2,2-4H3/t12-,14?,15+,16-,18-,20+,21-,22-/m1/s1
SMILES C=C1[C@@H](OC(C)=O)[C@]23C[C@@]1(O)CC[C@H]2[C@]12CO[C@H](CC1=O)C(C)(C)[C@H]2[C@H](O)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon eriocalyx var.laxiflora Ref.
zoom in