input word = C00063668

Metabolite InformationStructural formula
Name 6''-O-feruloylharpagide
Formula C25H32O13
Mw 540.18429111
CAS RN 1147125-46-9
C_ID C00063668
InChIKey MHJUUUMWNBTELV-AEDLCGPGSA-N
InChICode InChI=1S/C25H32O13/c1-24(32)10-16(27)25(33)7-8-35-23(21(24)25)38-22-20(31)19(30)18(29)15(37-22)11-36-17(28)6-4-12-3-5-13(26)14(9-12)34-2/h3-9,15-16,18-23,26-27,29-33H,10-11H2,1-2H3/b6-4+/t15-,16-,18-,19+,20-,21-,22+,23+,24+,25-/m1/s1
SMILES COc1cc(C=CC(=O)OCC2OC(OC3OC=CC4(O)C(O)CC(C)(O)C34)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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