input word = C00060937

Metabolite InformationStructural formula
Name Macrourin G
Formula C39H32O9
Mw 644.20463262
CAS RN 2287336-40-5
C_ID C00060937
InChIKey UTSGIEILMZHNCL-OWMSAUPRSA-N
InChICode InChI=1S/C39H32O9/c1-38(2)11-10-24-28(42)9-8-25(37(24)48-38)36(45)34-26-17-39(3,47-33-16-22(41)6-7-23(26)33)18-27(34)35-29(43)12-20(13-30(35)44)31-14-19-4-5-21(40)15-32(19)46-31/h4-16,18,26,34,40-44H,17H2,1-3H3/t26-,34-,39-/m1/s1
SMILES CC1(C)C=Cc2c(O)ccc(C(=O)C3C(c4c(O)cc(-c5cc6ccc(O)cc6o5)cc4O)=CC4(C)CC3c3ccc(O)cc3O4)c2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
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