input word = C00055204

Metabolite InformationStructural formula
Name Citrifolinin B
Formula C17H22O12
Mw 418.11112617
CAS RN 955044-23-2
C_ID C00055204
InChIKey DAHBOVPFKVSERQ-HWCJXECGSA-N
InChICode InChI=1S/C17H22O12/c1-25-14(23)5-3-26-15(8-7(5)12-13(28-12)17(8,24)4-19)29-16-11(22)10(21)9(20)6(2-18)27-16/h3-4,6-13,15-16,18,20-22,24H,2H2,1H3/t6-,7-,8-,9-,10+,11-,12+,13+,15+,16+,17-/m1/s1
SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@]([C@@](C=O)(O)[C@]3([H])[C@@]4([H])O3)([H])[C@@]4([H])C(C(OC)=O)=CO2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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