input word = C00055129

Metabolite InformationStructural formula
Name 6''-O-Acetyltrifolin
Formula C23H22O12
Mw 490.11112617
CAS RN 295323-77-2
C_ID C00055129
InChIKey AKENCGNASJPQNR-QZGPLKIZSA-N
InChICode InChI=1S/C23H22O12/c1-9(24)32-8-15-17(28)19(30)20(31)23(34-15)35-22-18(29)16-13(27)6-12(26)7-14(16)33-21(22)10-2-4-11(25)5-3-10/h2-7,15,17,19-20,23,25-28,30-31H,8H2,1H3/t15-,17+,19+,20-,23+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium repens Ref.
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