input word = C00008642

Metabolite InformationStructural formula
Name Isotirumalin
Formula C22H24O7
Mw 400.15220312
CAS RN 119736-72-0
C_ID C00008642 ,
InChIKey PBPNVACBMADKSI-MMYMAHBINA-N
InChICode InChI=1S/C22H24O7/c1-11(2)5-7-13-16(28-4)10-17-18(19(13)24)20(25)21(26)22(29-17)12-6-8-15(27-3)14(23)9-12/h5-6,8-10,21-24,26H,7H2,1-4H3/t21-,22-/m0/s1
SMILES COc1ccc([C@H]2Oc3cc(OC)c(CC=C(C)C)c(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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