input word = C00047722

Metabolite InformationStructural formula
Name Apigenosylide B
(+)-Apigenosylide B
Formula C41H50O18
Mw 830.2997148
CAS RN 1174167-30-6
C_ID C00047722 ,
InChIKey LQXSGEOEMJXPTE-AVRUUHJBNA-N
InChICode InChI=1S/C41H50O18/c1-4-5-6-7-8-9-10-21-25-34-26(22(44)15-23(55-34)19-11-13-20(43)14-12-19)30(47)27(35(25)58-59-41(21)38(51)18(3)54-40(41)52)36-37(32(49)29(46)24(16-42)56-36)57-39-33(50)31(48)28(45)17(2)53-39/h11-15,17-18,21,24,28-29,31-33,36-37,39,42-43,45-50H,4-10,16H2,1-3H3/t17-,18+,21+,24+,28-,29+,31+,32-,33+,36-,37+,39-,41-/m0/s1
SMILES c12c(c(=O)cc(o1)c1ccc(cc1)O)c(c(c1c2[C@H]([C@]2(OO1)C(=O)[C@H](OC2=O)C)CCCCCCCC)[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)O)O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeMachilus japonica Ref.
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OrganismMachilus japonica
ReferenceLee,J.Nat.Prod.,72,(2009),1249