input word = C00004192

Metabolite InformationStructural formula
Name Apigenin 7-(6''-malonylneohesperidoside)
Formula C30H32O17
Mw 664.1639496
CAS RN 127450-66-7
C_ID C00004192 ,
InChIKey FZDRRQITRWLLCV-JGJKCSRONA-N
InChICode InChI=1S/C30H32O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-8,11,19,23-32,37-41H,9-10H2,1H3,(H,34,35)/t11-,19+,23-,24-,25-,26-,27-,28+,29-,30+/m0/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)CC(=O)O)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Bryum pseudotriquetrum Ref.
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