input word = C00042395

Metabolite InformationStructural formula
Name Citrifolinin B epimer a
Formula C17H22O12
Mw 418.11112617
CAS RN 366469-87-6
C_ID C00042395 ,
InChIKey UXNDFLAYYHSFII-YIXGLYLRNA-N
InChICode InChI=1S/C17H22O12/c1-24-13(22)4-3-25-14(7-6(4)11-12(27-11)17(7)16(23)29-17)28-15-10(21)9(20)8(19)5(2-18)26-15/h3,5-12,14-16,18-21,23H,2H2,1H3/t5-,6-,7-,8-,9+,10-,11+,12+,14+,15+,16-,17-/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@]1([C@@H]3[C@H]2O3)[C@@H](O1)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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