input word = C00048336

Metabolite InformationStructural formula
Name Blechnoside B
Formula C33H54O10
Mw 610.37169795
CAS RN 104387-06-6
C_ID C00048336 ,
InChIKey OVBHAHZBRSIVHE-CEQBPCPWNA-N
InChICode InChI=1S/C33H54O10/c1-17(23(36)9-10-30(2,3)43-29-28(40)27(39)26(38)25(16-34)42-29)19-8-13-33(41)21-15-24(37)22-14-18(35)6-11-31(22,4)20(21)7-12-32(19,33)5/h15,17-20,22-23,25-29,34-36,38-41H,6-14,16H2,1-5H3/t17-,18-,19+,20-,22-,23+,25+,26+,27-,28+,29-,31+,32+,33+/m0/s1
SMILES C[C@H]([C@H](O)CCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeFroelichia floridana Ref.
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