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 CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc4oc(-c5ccc(O)cc5O)cc(=O)c4c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeArtocarpus heterophyllus Ref.
PlantaeMoraceaeMorus alba Ref.
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