input word = C00034466

Metabolite InformationStructural formula
Name cis-Miyabenol C
(+)-cis-Miyabenol C
Formula C42H32O9
Mw 680.20463262
CAS RN 168037-22-7
C_ID C00034466 ,
InChIKey RKFYYCKIHVEWHX-XAJCNLMPNA-N
InChICode InChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+/t38-,40+,41+,42-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H]2c1cc(cc2c1[C@H]([C@@H](O2)c1ccc(cc1)O)c1cc(cc(c1)O)O)O)c1ccc(cc1)O)/C=C/c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeCyperaceaeCarex pendula Ref.
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OrganismCarex pendula
ReferenceMeng,Phytochem.,57,(2001),393