input word = C00057109

Metabolite InformationStructural formula
Name Nigellamose
Formula C18H32O16
Mw 504.16903498
CAS RN 155154-22-6
C_ID C00057109
InChIKey FVVCFHXLWDDRHG-VPMWRYNTSA-N
InChICode InChI=1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14-,15+,16-,17-,18+/m1/s1
SMILES O[C@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@]3(CO)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella glandulifera Ref.
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