input word = C00015825

Metabolite InformationStructural formula
Name Miyabenol C
trans-Miyabenol
Formula C42H32O9
Mw 680.20463262
CAS RN 109605-83-6
C_ID C00015825 ,
InChIKey RKFYYCKIHVEWHX-XFWWYNRKNA-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 c12c(c(cc(c1)O)[C@@H]1[C@@H](Oc3c1c(cc(c3)O)/C=C/c1ccc(cc1)O)c1ccc(cc1)O)[C@H]([C@H](O2)c1ccc(cc1)O)c1cc(cc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeCyperaceaeCarex kobomugi Ref.
PlantaeFabaceaeCaragana stenophylla Ref.
PlantaeFabaceaeSophora davidii Ref.
PlantaeFabaceaeSophora viciifolia Ref.
PlantaeVitaceaeAmpelopsis brevipedunculata var hancei Ref.
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