input word = C00042669

Metabolite InformationStructural formula
Name Lanceolitol B2
Formula C26H48O12
Mw 552.314577
CAS RN 862699-51-2
C_ID C00042669 ,
InChIKey OLMGDQBWWACJOE-MUDYTNBJNA-N
InChICode InChI=1S/C26H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(28)37-24-21(33)19(31)20(32)22(34)25(24)38-26-23(35)18(30)17(29)15(14-27)36-26/h15,17-27,29-35H,2-14H2,1H3/t15-,17+,18+,19+,20+,21-,22+,23-,24-,25-,26+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@@H]([C@H]([C@@H]1OC(=O)CCCCCCCCCCCCC)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lanceolatum Ref.
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