input word = C00006233

Metabolite InformationStructural formula
Name 3,8-Di-C-glucopyranosylapigenin
Formula C27H30O15
Mw 594.15847029
CAS RN 97218-31-0
C_ID C00006233 ,
InChIKey BQTKHKROBXTYBZ-AOVMIUBNNA-N
InChICode InChI=1S/C27H30O15/c28-6-12-17(33)20(36)22(38)26(40-12)15-11(32)5-10(31)14-19(35)16(27-23(39)21(37)18(34)13(7-29)41-27)24(42-25(14)15)8-1-3-9(30)4-2-8/h1-5,12-13,17-18,20-23,26-34,36-39H,6-7H2/t12-,13+,17+,18+,20-,21-,22+,23+,26-,27-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)oc(c(c2=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus sudachi Ref.
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