input word = C00008530

Metabolite InformationStructural formula
Name Naringin 6''-malonate
Formula C30H34O17
Mw 666.17959966
CAS RN 139934-59-1
C_ID C00008530 ,
InChIKey YCOQCRMFNLZUCL-DWWLEKJZNA-N
InChICode InChI=1S/C30H34O17/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/h2-7,11,17,19,23-32,37-41H,8-10H2,1H3,(H,34,35)/t11-,17+,19+,23-,24-,25-,26-,27+,28+,29-,30+/m0/s1
SMILES c1c(c2c(cc1O[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)O[C@H](CC2=O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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