input word = C00008643

Metabolite InformationStructural formula
Name Tirumalin
Formula C22H24O7
Mw 400.15220312
CAS RN 74514-46-8
C_ID C00008643 ,
InChIKey WEAIYXLNZNYVJK-VJOGAFQXNA-N
InChICode InChI=1S/C22H24O7/c1-11(2)5-7-13-17(28-4)10-15(24)18-19(25)20(26)21(29-22(13)18)12-6-8-16(27-3)14(23)9-12/h5-6,8-10,20-21,23-24,26H,7H2,1-4H3/t20-,21+/m0/s1
SMILES COc1ccc([C@H]2Oc3c(CC=C(C)C)c(OC)cc(O)c3C(=O)[C@@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeRhynchosia cyanosperma Ref.
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