input word = C00013690

Metabolite InformationStructural formula
Name Spicoside A
6-Hydroxyluteolin 7-(6''-(E)-caffeoylglucoside)
2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-4H-1-benzopyran-4-one
Formula C30H26O15
Mw 626.12717016
CAS RN 651317-77-0
C_ID C00013690 ,
InChIKey UGSXKTPGBJVRGO-GSMKGYOLNA-N
InChICode InChI=1S/C30H26O15/c31-14-4-1-12(7-16(14)33)2-6-23(36)42-11-22-26(38)28(40)29(41)30(45-22)44-21-10-20-24(27(39)25(21)37)18(35)9-19(43-20)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,37-41H,11H2/b6-2+/t22-,26-,28+,29-,30-/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1)c(c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica liwanensis Ref.
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OrganismVeronica liwanensis
ReferenceAlbach,Phytochem.,64,(2003),1295