input word = C00047374

Metabolite InformationStructural formula
Name Albizoside C
(-)-Albizoside C
Formula C107H170O54
Mw 2319.05564503
CAS RN 1137673-15-4
C_ID C00047374 ,
InChIKey BQDFVCQKHXIFEZ-WLDIMXRMNA-N
InChICode InChI=1S/C107H170O54/c1-16-102(11,160-94-78(134)68(124)60(116)42(4)143-94)26-18-20-41(3)87(137)153-81-43(5)145-95(79(135)73(81)129)161-103(12,17-2)27-19-21-45(33-108)88(138)151-59-32-107(99(139)159-98-86(71(127)65(121)52(36-111)149-98)158-93-80(136)83(155-91-76(132)69(125)63(119)50(34-109)146-91)82(44(6)144-93)154-90-75(131)66(122)53(37-112)148-90)47(30-100(59,7)8)46-22-23-56-104(13)28-25-58(101(9,10)55(104)24-29-105(56,14)106(46,15)31-57(107)115)152-97-85(157-92-77(133)70(126)64(120)51(35-110)147-92)72(128)67(123)54(150-97)40-142-96-84(62(118)49(114)39-141-96)156-89-74(130)61(117)48(113)38-140-89/h16-17,20-22,42-44,47-86,89-98,108-136H,1-2,18-19,23-40H2,3-15H3/b41-20+,45-21+/t42-,43-,44+,47+,48-,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-,85-,86-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,102-,103-,104+,105-,106-,107-/m1/s1
SMILES C1[C@@H]2[C@](C[C@@H](C1(C)C)OC(=O)/C(=C/CC[C@@](C=C)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)/C(=C/CC[C@@](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)(C)C=C)/C)O)O)C)/CO)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(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)O)O)CO[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C)C)C)O)C(=O)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)C)O[C@H]1[C@H](O)[C@H]([C@@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia chinensis Ref.
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OrganismAlbizia chinensis
ReferenceLiu,J.Nat.Prod.,72,(2009),632