input word = C00031193

Metabolite InformationStructural formula
Name Rossicaside B
Formula C36H46O19
Mw 782.26332929
CAS RN 80458-55-5
C_ID C00031193 ,
InChIKey KKCGJZXNCXWIHC-LFWRRJNUNA-N
InChICode InChI=1S/C36H46O19/c1-16-31(54-36-28(46)26(44)25(43)22(14-37)51-36)27(45)29(47)35(50-16)55-33-30(48)34(49-12-2-3-17-4-8-19(39)9-5-17)52-23(15-38)32(33)53-24(42)11-7-18-6-10-20(40)21(41)13-18/h2-11,13,16,22-23,25-41,43-48H,12,14-15H2,1H3/b3-2+,11-7+/t16-,22-,23+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36+/m1/s1
SMILES CC1OC(OC2C(O)C(OC/C=C/c3ccc(O)cc3)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
PlantaeOrobanchaceaeBoschniakia rossica (CHAM.et SCHLECH.) FEDTSCH.et FLEROV. Ref.
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