input word = C00015693

Metabolite InformationStructural formula
Name (+)-alpha-Viniferin
alpha-Viniferin
Formula C42H30O9
Mw 678.18898256
CAS RN 62218-13-7
C_ID C00015693 ,
InChIKey KUTVNHOAKHJJFL-YVHWEYFBNA-N
InChICode InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41-,42-/m0/s1
SMILES c12[C@@H]3c4c5[C@@H](c6c7[C@H](c1cc(cc2O[C@@H]3c1ccc(cc1)O)O)[C@H](c1ccc(cc1)O)Oc7cc(c6)O)[C@@H](Oc5cc(c4)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeShorea gibbosa Ref.
PlantaeDipterocarpaceaeShorea hemsleyana Ref.
PlantaeFabaceaeCaragana stenophylla Ref.
PlantaeFabaceaeSophora davidii Ref.
PlantaeLabiataeVitex vinifera Ref.
PlantaeVitaceaeVitis riparia Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Botrytis cinerea Ref.
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OrganismVitex vinifera
ReferenceLangcake,Experientia,33,(1977),151