input word = C00031192

Metabolite InformationStructural formula
Name Rossicaside A
Formula C35H46O20
Mw 786.25824391
CAS RN 112664-03-6
C_ID C00031192 ,
InChIKey DPXFZCPIRZCXRV-QPJJXVBHNA-N
InChICode InChI=1S/C35H46O20/c1-14-30(54-35-27(46)25(44)24(43)21(12-36)51-35)26(45)28(47)34(50-14)55-32-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)31(32)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21-,22+,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,34-,35+/m0/s1
SMILES CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
PlantaeOrobanchaceaeBoschniakia rossica (CHAM.et SCHLECH.) FEDTSCH.et FLEROV. Ref.
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OrganismBoschniakia rossica (CHAM.et SCHLECH.) FEDTSCH.et FLEROV.
ReferenceShyr,Chem.Pharm.Bul.,54,(2006),252