input word = C00004172

Metabolite InformationStructural formula
Name Apigenin 7-(6''-p-coumarylglucoside)
Apigenin 7-O-(6''-O-p-coumaroylglucoside)
Apigenin 7-O-p-coumaroylglucoside
Echinacin
(-)-Echinacin
Formula C30H26O12
Mw 578.1424263
CAS RN 105815-90-5
C_ID C00004172 ,
InChIKey WPQRDUGBKUNFJW-ZKPYLLRRNA-N
InChICode InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29+,30-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis sativus Ref.
PlantaeLabiataePogostemon cablin Ref.
PlantaeLabiataeStachys alopecuros (L.) Benth. Ref.
PlantaeLabiataeStachys anisochila Vis.et Panc. Ref.
PlantaeLabiataeStachys germanica L. Ref.
PlantaeLabiataeStachys lanata Ref.
PlantaeLabiataeStachys officinalis (L.) Trev. Ref.
PlantaeLabiataeStachys palustris L. Ref.
PlantaeLabiataeStachys plumosa Griseb. Ref.
PlantaeLabiataeStachys scardica Griseb. Ref.
PlantaeLabiataeStachys sylvatica L. Ref.
PlantaeTurneraceaeTurnera diffusa Ref.
--Echinop echinatus Ref.
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OrganismStachys officinalis (L.) Trev.
ReferenceMarin,Phytochem.,65,(2004),1247