input word = C00006232

Metabolite InformationStructural formula
Name 3,6-Di-C-glucosylapigenin
Formula C27H30O15
Mw 594.15847029
CAS RN 90456-55-6
C_ID C00006232 ,
InChIKey LXJLIJWTKFLSRJ-JWSFIRIGNA-N
InChICode InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)14-10(31)5-11-15(19(14)34)20(35)16(25(40-11)8-1-3-9(30)4-2-8)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-34,36-39H,6-7H2/t12-,13-,17-,18-,21+,22-,23-,24-,26+,27+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus unshiu Ref.
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