input word = C00050139

Metabolite InformationStructural formula
Name Julibroside III
Formula C104H165NO48
Mw 2196.05010614
CAS RN 172335-99-8
C_ID C00050139 ,
InChIKey SQDOTVKCGLZBJK-XEAJBOHQNA-N
InChICode InChI=1S/C104H165NO48/c1-19-99(14,152-92-77(128)69(120)61(112)43(5)136-92)30-22-24-42(4)86(132)146-80-45(7)139-93(78(129)73(80)124)153-100(15,20-2)29-21-23-41(3)85(131)144-59-35-104(96(133)151-95-84(72(123)65(116)52(37-107)142-95)150-91-79(130)82(148-90-76(127)70(121)64(115)51(36-106)140-90)81(46(8)138-91)147-89-75(126)66(117)53(38-108)141-89)49(33-97(59,10)11)48-25-26-56-101(16)31-28-58(98(12,13)55(101)27-32-102(56,17)103(48,18)34-57(104)111)145-87-60(105-47(9)109)68(119)67(118)54(143-87)40-135-94-83(71(122)62(113)44(6)137-94)149-88-74(125)63(114)50(110)39-134-88/h19-20,23-25,43-46,49-84,87-95,106-108,110-130H,1-2,21-22,26-40H2,3-18H3,(H,105,109)/b41-23+,42-24+/t43-,44-,45-,46+,49+,50-,51-,52-,53+,54-,55+,56-,57-,58+,59+,60-,61-,62+,63+,64-,65-,66+,67-,68-,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83-,84-,87+,88+,89+,90+,91+,92-,93+,94-,95-,99-,100-,101+,102-,103-,104-/m1/s1
SMILES [C@@H]1(O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)OC[C@@H]1[C@@H](O)[C@@H]([C@H]([C@@H](O1)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2CC([C@H](C1)OC(=O)/C(=C/CC[C@@](C=C)(O[C@@H]1O[C@@H]([C@@H](OC(=O)/C(=C/CC[C@@](C=C)(O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C)C)/C)[C@H](O)[C@H]1O)C)C)/C)(C)C)C(=O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@H](O)[C@@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)O)C)C)C)NC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia julibrissin Ref.
PlantaeFabaceaeAlbizzia julibrissin Ref.
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