input word = C00008087

Metabolite InformationStructural formula
Name Kuwanol E
Formula C39H38O9
Mw 650.25158281
CAS RN 125850-38-6
C_ID C00008087 ,
InChIKey HGFWVFTZYRJFRI-DLMHLKBLNA-N
InChICode InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+/t29-,30+,36-/m1/s1
SMILES C1[C@@H]([C@H]([C@H](C=C1C)c1c(cc(cc1O)/C=C/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
PlantaeMoraceaeMorus alba Ref.
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