input word = C00006252

Metabolite InformationStructural formula
Name Elatin(flavonoid)
Formula C27H30O15
Mw 594.15847029
CAS RN 145364-53-0
C_ID C00006252 ,
InChIKey NPMISSRZJYIZNR-ZVXHGUMNNA-N
InChICode InChI=1S/C27H30O15/c1-7-17(32)21(36)23(38)27(40-7)16-20(35)15(26-24(39)22(37)18(33)13(6-28)42-26)19(34)14-11(31)5-12(41-25(14)16)8-2-3-9(29)10(30)4-8/h2-5,7,13,17-18,21-24,26-30,32-39H,6H2,1H3/t7-,13-,17-,18+,21+,22-,23-,24+,26-,27-/m0/s1
SMILES c1(c(c(c2c(c1[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)oc(cc2=O)c1ccc(c(c1)O)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
PlantaeMniaceaePlagiomnium elatum Ref.
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