input word = C00029425

Metabolite InformationStructural formula
Name 1-O-Formylrocagloic acid
Formula C28H26O9
Mw 506.15768243
CAS RN 917393-83-0
C_ID C00029425 ,
InChIKey SWAWBLUMMMXDHE-XSDGWMPQNA-N
InChICode InChI=1S/C28H26O9/c1-33-18-11-9-17(10-12-18)28-23(16-7-5-4-6-8-16)22(26(30)31)25(36-15-29)27(28,32)24-20(35-3)13-19(34-2)14-21(24)37-28/h4-15,22-23,25,32H,1-3H3,(H,30,31)/t22-,23-,25-,27+,28+/m1/s1
SMILES c12c([C@]3([C@@](O1)([C@@H]([C@H]([C@H]3OC=O)C(=O)O)c1ccccc1)c1ccc(cc1)OC)O)c(cc(c2)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAmoora cucullata Ref.
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