input word = C00015781

Metabolite InformationStructural formula
Name Gnetin I
Formula C42H32O9
Mw 680.20463262
CAS RN 105093-74-1
C_ID C00015781 ,
InChIKey OCYSKJMKPXUCTA-XPWWLQCANA-N
InChICode InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-36-29(16-28(48)17-31(36)49)37-34(20-3-9-24(44)10-4-20)39-30(38(33)37)18-32-40(41(39)50)35(22-13-26(46)15-27(47)14-22)42(51-32)21-5-11-25(45)12-6-21/h1-18,33-35,37-38,42-50H/t33-,34+,35-,37-,38-,42-/m1/s1
SMILES c12c(cc3c(c1O)[C@H]([C@@H]1[C@H]3[C@@H](c3c1cc(cc3O)O)c1ccc(cc1)O)c1ccc(cc1)O)O[C@@H]([C@@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeWelwitschiaceaeWelwitschia mirabilis Ref.
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