input word = C00042511

Metabolite InformationStructural formula
Name Firmianone C
(-)-Firmianone C
Formula C37H40O14
Mw 708.24180599
CAS RN 863880-03-9
C_ID C00042511 ,
InChIKey FVZYWZDSOTZVEE-GQZLZCNBNA-N
InChICode InChI=1S/C37H40O14/c1-16(2)11-21(22-12-24(40)17-7-3-5-9-19(17)28(22)41)23-13-25(48-36-33(46)31(44)29(42)26(14-38)49-36)18-8-4-6-10-20(18)35(23)51-37-34(47)32(45)30(43)27(15-39)50-37/h3-13,21,26-27,29-34,36-39,42-47H,14-15H2,1-2H3/t21-,26+,27+,29+,30+,31-,32-,33+,34+,36+,37+/m0/s1
SMILES CC(C)=CC(C1=CC(=O)c2ccccc2C1=O)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeFirmiana platanifolia Ref.
zoom in



OrganismFirmiana platanifolia
ReferenceBai,J.Nat.Prod.,68,(2005),1159