input word = C00055432

Metabolite InformationStructural formula
Name Deglucocheirotoxol
Formula C29H44O10
Mw 552.29344763
CAS RN 29336-13-8
C_ID C00055432
InChIKey UQEKVLJMBGSQGS-PZXOABCJSA-N
InChICode InChI=1S/C29H44O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,15,17-20,22-25,30,32-36H,3-10,12-14H2,1-2H3/t15-,17+,18-,19+,20-,22+,23-,24-,25+,26-,27+,28+,29+/m1/s1
SMILES C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[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
Referencev. Euw, J. et al., Helv. Chim. Acta, 1948, 31, 883 (isol)