input word = C00031183

Metabolite InformationStructural formula
Name Rocagloic acid
Formula C27H26O8
Mw 478.16276781
CAS RN 190385-15-0
C_ID C00031183 ,
InChIKey HLORMQRMDNZHJH-XCWKGVPFNA-N
InChICode InChI=1S/C27H26O8/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(29)30)24(28)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,28,31H,1-3H3,(H,29,30)/t21-,22-,24-,26+,27+/m1/s1
SMILES c12c(O[C@@]3([C@]1([C@@H]([C@@H]([C@H]3c1ccccc1)C(=O)O)O)O)c1ccc(cc1)OC)cc(cc2OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia dasyclada Ref.
PlantaeMeliaceaeAglaia elliptifolia Ref.
PlantaeMeliaceaeAmoora cucullata Ref.
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