input word = C00050818

Metabolite InformationStructural formula
Name Ilicifolioside C
Formula C25H42O17
Mw 614.24219992
CAS RN 662165-74-4
C_ID C00050818
InChIKey UHLDMYWQPBDHTO-ZHGPLEJENA-N
InChICode InChI=1S/C25H42O17/c1-2-10(5-3-4-6-14(28)29)39-25-22(19(34)16(31)12(7-26)40-25)42-24-21(36)18(33)17(32)13(41-24)9-38-23-20(35)15(30)11(27)8-37-23/h2,10-13,15-27,30-36H,1,3-9H2,(H,28,29)/t10-,11+,12+,13+,15-,16+,17+,18-,19-,20+,21+,22+,23-,24-,25+/m0/s1
SMILES C=C[C@@H](CCCCOC=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus ilicifolius Ref.
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