input word = C00030978

Metabolite InformationStructural formula
Name Pharbitoside B
(-)-Pharbitoside B
Formula C48H78O18
Mw 942.51881569
CAS RN 1035597-76-2
C_ID C00030978 ,
InChIKey TYIDJRGRVRRFNB-ALFALBKZNA-N
InChICode InChI=1S/C48H78O18/c1-21-30(52)33(55)36(58)39(61-21)65-38-35(57)32(54)25(20-50)63-41(38)66-37-34(56)31(53)24(19-49)62-40(37)64-29-12-13-45(6)26(44(29,4)5)11-14-47(8)27(45)10-9-22-23-17-43(2,3)28(51)18-48(23,42(59)60)16-15-46(22,47)7/h9,21,23-41,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1
SMILES C1([C@@H](C[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)C)C)C(=O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaePharbitis nil Ref.
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OrganismPharbitis nil
ReferenceJung,Chem.Pharm.Bull.,56,(2008),203