input word = C00047372

Metabolite InformationStructural formula
Name Albizoside A
(-)-Albizoside A
Formula C118H186O56
Mw 2499.17067478
CAS RN 1137673-11-0
C_ID C00047372 ,
InChIKey HURMKHBJYJPKHH-UYSYQJKCNA-N
InChICode InChI=1S/C118H186O56/c1-20-112(14,172-104-87(145)76(134)68(126)49(5)154-104)35-25-28-55(42-120)98(150)166-95-80(138)70(128)51(7)156-108(95)174-114(16,22-3)33-23-26-48(4)96(148)165-90-52(8)158-105(88(146)82(90)140)173-113(15,21-2)34-24-27-54(41-119)97(149)163-67-40-118(109(151)171-107-94(81(139)73(131)60(44-122)161-107)170-103-89(147)92(168-102-86(144)77(135)72(130)59(43-121)159-102)91(53(9)157-103)167-101-84(142)74(132)61(45-123)160-101)57(38-110(67,10)11)56-29-30-64-115(17)36-32-66(111(12,13)63(115)31-37-116(64,18)117(56,19)39-65(118)125)164-100-85(143)78(136)75(133)62(162-100)47-153-106-93(79(137)69(127)50(6)155-106)169-99-83(141)71(129)58(124)46-152-99/h20-22,26-29,49-53,57-95,99-108,119-147H,1-3,23-25,30-47H2,4-19H3/b48-26+,54-27+,55-28+/t49-,50-,51-,52-,53+,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-,87-,88-,89-,90-,91+,92+,93-,94-,95-,99+,100+,101+,102+,103+,104+,105+,106-,107-,108+,112-,113-,114-,115+,116-,117-,118-/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)OC(=O)/C(=C/CC[C@@](C=C)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)C)/CO)(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)O)O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)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]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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)C
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