input word = C00043610

Metabolite InformationStructural formula
Name Ismailin
Formula C31H20O9
Mw 536.11073224
CAS RN 86377-54-0
C_ID C00043610 ,
InChIKey ANMHSKMVWXRFBM-UHFFFAOYSA-N
InChICode InChI=1S/C31H20O9/c1-12-10-15-21(16(32)11-12)29(36)23(25-28(35)20-14(3)7-5-9-18(20)40-31(25)38)22(26(15)33)24-27(34)19-13(2)6-4-8-17(19)39-30(24)37/h4-11,32,34-35H,1-3H3
SMILES Cc1cc(O)c2c(c1)C(=O)C(c1c(O)c3c(C)cccc3oc1=O)=C(c1c(O)c3c(C)cccc3oc1=O)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros ismailii Ref.
zoom in