input word = C00055007

Metabolite InformationStructural formula
Name 6''-O-Caffeoylcosmosiin
Formula C30H26O13
Mw 594.13734092
CAS RN 197648-68-3
C_ID C00055007
InChIKey MBMFVVJRZMJLSK-AESNYCIYSA-N
InChICode InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)22-12-21(35)26-20(34)10-17(11-23(26)42-22)41-30-29(39)28(38)27(37)24(43-30)13-40-25(36)8-2-14-1-7-18(32)19(33)9-14/h1-12,24,27-34,37-39H,13H2/b8-2+/t24-,27-,28+,29-,30-/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)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
PlantaeAsteraceaeChamomilla recutita Ref.
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