input word = C00060624

Metabolite InformationStructural formula
Name 2-Feruloyl-1-sinapoylgentiobiose
Formula C33H40O18
Mw 724.22146448
CAS RN 195006-74-7
C_ID C00060624
InChIKey QYKVHEQRAXPEEL-WJKQLGTOSA-N
InChICode InChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-23(36)50-31-29(42)27(40)22(14-47-32-30(43)28(41)26(39)21(13-34)48-32)49-33(31)51-24(37)9-6-16-11-19(45-2)25(38)20(12-16)46-3/h4-12,21-22,26-35,38-43H,13-14H2,1-3H3/b8-5+,9-6+/t21-,22-,26-,27-,28+,29+,30-,31-,32-,33+/m1/s1
SMILES COc1cc(C=CC(=O)OC2C(OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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