input word = C00003612

Metabolite InformationStructural formula
Name Convallatoxin
Formula C29H42O10
Mw 550.27779756
CAS RN 508-75-8
C_ID C00003612 ,
InChIKey HULMNSIAKWANQO-UHYBZZQCNA-N
InChICode InChI=1S/C29H42O10/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/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23-,24+,25+,26+,27-,28-,29-/m0/s1
SMILES CC1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
PlantaeCrossosomataceaeCrossosoma bigelovii Ref.
PlantaeHyacinthaceaeOrnithogalum umbellatum Ref.
PlantaeMoraceaeAntiaris toxicaria Ref.
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OrganismOrnithogalum umbellatum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter55