input word = C00030251

Metabolite InformationStructural formula
Name Firmacoside B
(-)-Firmacoside B
Formula C39H72O14
Mw 764.49220701
CAS RN 929021-60-3
C_ID C00030251 ,
InChIKey IXDAJTSZNPIIOX-MMRHOLFTNA-N
InChICode InChI=1S/C39H72O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-47-37-34(45)32(43)29(25-49-37)52-39-35(46)36(51-27(2)40)30(26-50-39)53-38-33(44)31(42)28(41)24-48-38/h28-39,41-46H,3-26H2,1-2H3/t28-,29-,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-/m1/s1
SMILES CCCCCCCCCCCCCCCCCCCCCCO[C@H]1OC[C@@H](O[C@H]2OC[C@@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](OC(C)=O)[C@@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia firma TIX-DUR. Ref.
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