input word = C00064569

Metabolite InformationStructural formula
Name Tropeoside B2
Formula C38H62O13
Mw 726.41904207
CAS RN 847700-00-9
C_ID C00064569
InChIKey DUJRFLRNALOUEO-PTBNUOOGSA-N
InChICode InChI=1S/C38H62O13/c1-17(15-47-34-33(45)31(43)29(41)19(3)49-34)8-11-38(46)18(2)28-26(51-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)50-35-32(44)30(42)25(40)16-48-35/h6,17-19,21-35,39-46H,7-16H2,1-5H3/t17-,18+,19+,21-,22-,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
SMILES CC(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(C)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa var. Tropea Ref.
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