input word = C00040672

Metabolite InformationStructural formula
Name Xanifolia Y8
Formula C57H88O23
Mw 1140.57163912
CAS RN 852361-66-1
C_ID C00040672 ,
InChIKey GFNXJYIZHWPOMA-OGQPEEKRNA-N
InChICode InChI=1S/C57H88O23/c1-11-25(3)47(71)79-44-45(80-48(72)26(4)12-2)57(24-61)28(19-52(44,5)6)27-13-14-32-53(7)17-16-34(54(8,23-60)31(53)15-18-55(32,9)56(27,10)20-33(57)62)75-51-43(78-50-39(67)37(65)35(63)29(21-58)73-50)41(40(68)42(77-51)46(69)70)76-49-38(66)36(64)30(22-59)74-49/h11-13,28-45,49-51,58-68H,14-24H2,1-10H3,(H,69,70)/b25-11-,26-12-/t28-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,49-,50-,51+,53-,54+,55+,56+,57-/m0/s1
SMILES C1[C@]2([C@H]([C@]([C@H](C1)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[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O)C(=O)O)(CO)C)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2CC([C@H]([C@@H]1OC(=O)/C(=C\C)/C)OC(=O)/C(=C\C)/C)(C)C)CO)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeXanthoceras sorbifolia Ref.
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OrganismXanthoceras sorbifolia
ReferenceChan,J.Nat.Prod.,71,(2008),1247