input word = C00030977

Metabolite InformationStructural formula
Name Pharbitoside A
Formula C48H78O18
Mw 942.51881569
CAS RN 1035597-74-0
C_ID C00030977 ,
InChIKey MHSHCHZWXAPJPU-LXRARAJVNA-N
InChICode InChI=1S/C48H78O18/c1-22-30(52)33(55)36(58)39(61-22)65-38-35(57)32(54)26(20-50)63-41(38)66-37-34(56)31(53)25(19-49)62-40(37)64-29-11-12-45(5)27(43(29,2)3)10-13-47(7)28(45)9-8-23-24-18-44(4,21-51)14-16-48(24,42(59)60)17-15-46(23,47)6/h8,22,24-41,49-58H,9-21H2,1-7H3,(H,59,60)/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
SMILES [C@@]1(CC[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)(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaePharbitis nil Ref.
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