input word = C00042509

Metabolite InformationStructural formula
Name Firmianone A
Formula C36H38O11
Mw 646.24141206
CAS RN 863880-01-7
C_ID C00042509 ,
InChIKey PWLKCHHZPGZNQY-VAWYXSNFNA-N
InChICode InChI=1S/C36H38O11/c1-17-13-23-21-14-20-18(8-6-10-24(20)46-32-30(41)29(40)28(39)25(16-37)47-32)27(38)26(21)36(45)22-9-5-4-7-19(22)31(42)34(23,35(36,44)15-17)12-11-33(2,3)43/h4-14,23,25,28-30,32,37-41,43-45H,15-16H2,1-3H3/b12-11+/t23-,25-,28+,29+,30+,32+,34-,35+,36+/m1/s1
SMILES CC1=CC2c3cc4c(OC5OC(CO)C(O)C(O)C5O)cccc4c(O)c3C3(O)c4ccccc4C(=O)C2(/C=C/C(C)(C)O)C3(O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeFirmiana platanifolia Ref.
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