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 CCCCCCCC[C@@H]1c2c(c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OO[C@@]12C(=O)O[C@H](C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeMachilus japonica Ref.
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