input word = C00013614

Metabolite InformationStructural formula
Name Echitin
(-)-Echitin
Apigenin 7-(2''-E-p-coumaroylglucoside
Echitin(glycoside)
(E)-5-Hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C30H26O12
Mw 578.1424263
CAS RN 177535-49-8
C_ID C00013614 ,
InChIKey XDGSYLNVWAOCRH-ZKPYLLRRNA-N
InChICode InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2/b10-3+/t24-,27+,28-,29+,30+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OC1[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)OC(CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEchinops echinatus Ref.
PlantaeFlacourtiaceaeItoa orientalis Ref.
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