input word = C00055006

Metabolite InformationStructural formula
Name 6''-O-Butanoylcosmosiin
Formula C25H26O11
Mw 502.14751167
CAS RN 1014699-50-3
C_ID C00055006
InChIKey WTBJYFTUVPGUJF-HYOIWIKGSA-N
InChICode InChI=1S/C25H26O11/c1-2-3-20(29)33-11-19-22(30)23(31)24(32)25(36-19)34-14-8-15(27)21-16(28)10-17(35-18(21)9-14)12-4-6-13(26)7-5-12/h4-10,19,22-27,30-32H,2-3,11H2,1H3/t19-,22-,23+,24-,25-/m1/s1
SMILES CCCC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPhyllanthus emblica
ReferenceNakaoki, T.Yakugaku Zasshi, 1935, 55, 967-978 (isol)