input word = C00031365

Metabolite InformationStructural formula
Name Senburiside I
Formula C34H38O16
Mw 702.21598517
CAS RN 100648-42-8
C_ID C00031365 ,
InChIKey LPSKMPVDZRGUPK-BQYQJAHWNA-N
InChICode InChI=1S/C34H38O16/c1-15-21(47-32(43)17-5-4-6-18(36)11-17)12-19-20(31(41)42)14-46-33(26(15)19)50-34-30(29(40)28(39)24(13-35)48-34)49-25(37)8-7-16-9-22(44-2)27(38)23(10-16)45-3/h4-11,14-15,19,21,24,26,28-30,33-36,38-40H,12-13H2,1-3H3,(H,41,42)/b8-7+/t15-,19+,21+,24+,26+,28+,29+,30-,33+,34+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC2C(OC3OC=C(C(=O)O)C4CC(OC(=O)c5cccc(O)c5)C(C)C34)OC(CO)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia franchetiana Ref.
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OrganismSwertia franchetiana
ReferenceWang,Chem.Pharm.Bull.,53,(2005),674