input word = C00006807

Metabolite InformationStructural formula
Name Alatanin C
Formula C38H41O20
Mw 817.21911875
CAS RN 138688-63-8
C_ID C00006807 ,
InChIKey UOEASSRAYLSNGX-QWTXRBCKNA-O
InChICode InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)44)3-6-28(43)53-13-26-30(45)32(47)34(49)37(57-26)54-14-27-31(46)33(48)35(50)38(58-27)56-25-12-18-20(41)10-17(39)11-22(18)55-36(25)16-4-5-19(40)21(42)9-16/h3-12,26-27,30-35,37-38,45-50H,13-14H2,1-2H3,(H4-,39,40,41,42,43,44)/p+1/t26-,27+,30-,31-,32+,33+,34-,35-,37-,38-/m1/s1
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)O)O)O)C[C@@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea alata Ref.
--purple yam tubers Ref.
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