input word = C00029498

Metabolite InformationStructural formula
Name 3'-Hydroxy rocagloic acid
Formula C27H26O9
Mw 494.15768243
CAS RN 917393-85-2
C_ID C00029498 ,
InChIKey AOUWJEQQNZVCAQ-XCWKGVPFNA-N
InChICode InChI=1S/C27H26O9/c1-33-16-12-19(35-3)23-20(13-16)36-27(15-9-10-18(34-2)17(28)11-15)22(14-7-5-4-6-8-14)21(25(30)31)24(29)26(23,27)32/h4-13,21-22,24,28-29,32H,1-3H3,(H,30,31)/t21-,22-,24-,26+,27+/m1/s1
SMILES c12c([C@]3([C@@](O1)([C@@H]([C@H]([C@H]3O)C(=O)O)c1ccccc1)c1ccc(c(c1)O)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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