input word = C00006806

Metabolite InformationStructural formula
Name Alatanin 1
Formula C38H41O20
Mw 817.21911875
CAS RN 131189-50-9
C_ID C00006806 ,
InChIKey RAPZMNBUKQLWKN-UHFFFAOYNA-O
InChICode InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)45)3-6-28(44)58-36-27(14-53-37-33(49)31(47)30(46)26(13-39)56-37)57-38(34(50)32(36)48)55-25-12-18-20(42)10-17(40)11-22(18)54-35(25)16-4-5-19(41)21(43)9-16/h3-12,26-27,30-34,36-39,46-50H,13-14H2,1-2H3,(H4-,40,41,42,43,44,45)/p+1/t26-,27-,30-,31-,32+,33-,34+,36+,37-,38-/m1/s1
SMILES COc1cc(/C=C/C(=O)OC2C(COC3OC(CO)C(O)C(O)C3O)OC(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea alata Ref.
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