input word = C00004160

Metabolite InformationStructural formula
Name Apigenin 7-rhamnosyl-(1->2)-galacturonide
Formula C27H28O15
Mw 592.14282023
CAS RN 124167-97-1
C_ID C00004160 ,
InChIKey ONIIEJMYZDRHKM-UULBEFBCNA-N
InChICode InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37)/t9-,18-,19-,20+,21-,22+,23-,24+,26-,27+/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)C(=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
PlantaeAsteraceaeSilybum marianum Ref.
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