input word = C00058153

Metabolite InformationStructural formula
Name Viniferol D
Formula C42H32O9
Mw 680.20463262
CAS RN 625096-18-6
C_ID C00058153
InChIKey QDEHKEFWCRAFDN-MOTQTELBSA-N
InChICode InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40+,42-/m1/s1
SMILES OC(C=C1O)=CC2=C1[C@@]([H])(C3=CC=C(O)C=C3)[C@]4([H])C5=C6[C@]2([H])[C@](C7=CC=C(O)C=C7)([H])OC6=CC(O)=C5[C@]([H])(C8=CC=C(O)C=C8)[C@@]4([H])C9=CC(O)=CC(O)=C9
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera 'Kyohou' Ref.
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