input word = C00004191

Metabolite InformationStructural formula
Name Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Formula C29H32O15
Mw 620.17412036
CAS RN 125300-52-9
C_ID C00004191 ,
InChIKey XWKQNYZOJMXAQE-FQRWEWABNA-N
InChICode InChI=1S/C29H32O15/c1-11-22(34)24(36)26(38)28(40-11)44-27-25(37)23(35)20(10-39-12(2)30)43-29(27)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20-,22+,23-,24-,25+,26+,27-,28+,29-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)COC(=O)C)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceae/Pentaphylacaceae/TernstroemiaceaeEurya japonica Ref.
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