input word = C00008086

Metabolite InformationStructural formula
Name Chalcomoracin
Formula C39H36O9
Mw 648.23593275
CAS RN 76472-89-4
C_ID C00008086 ,
InChIKey SEHVRKPXIDOTRX-JTGSZRTENA-N
InChICode InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1
SMILES C1[C@@H]([C@H]([C@H](C=C1C)c1c(cc(cc1O)c1oc2c(c1)ccc(c2)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
PlantaeMoraceaeMorus alba Ref.
PlantaeMoraceaeMorus bombycis Ref.
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