input word = C00006864

Metabolite InformationStructural formula
Name Alatanin 2
Formula C39H43O20
Mw 831.23476882
CAS RN 131189-51-0
C_ID C00006864 ,
InChIKey GHSMFVLHRTWFOO-UHFFFAOYNA-O
InChICode InChI=1S/C39H42O20/c1-51-23-10-17(5-6-20(23)42)36-26(13-19-21(43)11-18(41)12-22(19)55-36)56-39-35(50)33(48)37(28(58-39)15-54-38-34(49)32(47)31(46)27(14-40)57-38)59-29(44)7-4-16-8-24(52-2)30(45)25(9-16)53-3/h4-13,27-28,31-35,37-40,46-50H,14-15H2,1-3H3,(H3-,41,42,43,44,45)/p+1/t27-,28-,31+,32-,33-,34+,35-,37+,38+,39+/m0/s1
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)C[C@@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)OC)O)O)O)[C@H]([C@@H]([C@@H]1OC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea alata Ref.
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OrganismDioscorea alata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Shoyama,Phytochem.,29,(1990),2999