input word = C00008081

Metabolite InformationStructural formula
Name Artonin I
Formula C40H36O11
Mw 692.22576199
CAS RN 144923-70-6
C_ID C00008081 ,
InChIKey XBRYZRXERUJNCV-GTTZJDFQNA-N
InChICode InChI=1S/C40H36O11/c1-18(2)4-7-24-28(43)11-10-25(38(24)48)39(49)35-26(22-8-5-20(41)14-29(22)44)12-19(3)13-27(35)36-31(46)17-34-37(40(36)50)32(47)16-33(51-34)23-9-6-21(42)15-30(23)45/h4-6,8-11,13-17,26-27,35,41-46,48,50H,7,12H2,1-3H3/t26-,27+,35-/m1/s1
SMILES C1[C@@H]([C@H]([C@H](C=C1C)c1c(c2c(cc1O)oc(cc2=O)c1ccc(cc1O)O)O)C(=O)c1ccc(c(c1O)CC=C(C)C)O)c1c(cc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeArtocarpus heterophyllus Ref.
PlantaeMoraceaeMorus alba Ref.
zoom in