input word = C00047723

Metabolite InformationStructural formula
Name Apigenosylide C
(-)-Apigenosylide C
Formula C37H44O14
Mw 712.27310612
CAS RN 1174167-31-7
C_ID C00047723 ,
InChIKey ZJALRPNVJCQEOV-LLYYJYNKNA-N
InChICode InChI=1S/C37H44O14/c1-3-4-5-6-7-8-9-10-11-22-28-26(50-51-37(22)34(44)19(2)46-36(37)45)17-24(40)29-23(39)16-25(48-33(28)29)20-12-14-21(15-13-20)47-35-32(43)31(42)30(41)27(18-38)49-35/h12-17,19,22,27,30-32,35,38,40-43H,3-11,18H2,1-2H3/t19-,22-,27-,30-,31+,32-,35+,37+/m1/s1
SMILES c12c(c(=O)cc(o1)c1ccc(cc1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(cc1c2[C@H]([C@]2(OO1)C(=O)[C@H](OC2=O)C)CCCCCCCCCC)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