input word = C00045595

Metabolite InformationStructural formula
Name 8-O-E-p-Methoxycinnamoylharpagide
Formula C25H32O12
Mw 524.18937649
CAS RN 125579-36-4
C_ID C00045595 ,
InChIKey JDZDWKUMQMINBT-KKMVOPDJNA-N
InChICode InChI=1S/C25H32O12/c1-24(37-17(28)8-5-13-3-6-14(33-2)7-4-13)11-16(27)25(32)9-10-34-23(21(24)25)36-22-20(31)19(30)18(29)15(12-26)35-22/h3-10,15-16,18-23,26-27,29-32H,11-12H2,1-2H3/b8-5+/t15-,16-,18-,19+,20-,21-,22+,23+,24+,25+/m1/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]1OC=C[C@]2([C@H]1[C@](C[C@H]2O)(OC(=O)/C=C/c1ccc(cc1)OC)C)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia buergeriana Ref.
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