input word = C00061599

Metabolite InformationStructural formula
Name (2S)-2-Hydroxy-3-[(1-oxohexadecyl)oxy]propyl 6-O-alpha-D-galactopyranosyl-beta-D-galactopyranoside
Formula C31H58O14
Mw 654.38265656
CAS RN 35949-85-0
C_ID C00061599
InChIKey OQWOKDQAPBSVGH-KFDGTCGFSA-N
InChICode InChI=1S/C31H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(34)41-17-20(33)18-42-30-29(40)27(38)25(36)22(45-30)19-43-31-28(39)26(37)24(35)21(16-32)44-31/h20-22,24-33,35-40H,2-19H2,1H3/t20-,21-,22-,24+,25+,26+,27+,28-,29-,30-,31+/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismNicotiana tabacum
Referencehttps://doi.org/10.1021/jf303702j