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]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
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OrganismConvallaria majalis
ReferenceSchmutz, J. et al., Helv. Chim. Acta, 1951, 34, 1264 (isol)