input word = C00055245

Metabolite InformationStructural formula
Name Canescein
Formula C29H42O11
Mw 566.27271219
CAS RN 22333-73-9
C_ID C00055245
InChIKey AZOXLPPOBHVORY-DKHHQGSCSA-N
InChICode InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19-,21-,22+,23-,24-,25+,26-,27+,28+,29+/m1/s1
SMILES C[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O[C@@H]2C[C@](CC[C@]3([H])[C@]4([H])[C@H](O)C[C@@]5(C)[C@]3(O)CC[C@]5([H])C6=CC(OC6)=O)(O)[C@]4(C=O)CC2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
zoom in