input word = C00042510

Metabolite InformationStructural formula
Name Firmianone B
Formula C36H38O12
Mw 662.23632668
CAS RN 863880-02-8
C_ID C00042510 ,
InChIKey IHWURVMXCLJZBT-ZHACJKMWNA-N
InChICode InChI=1S/C36H38O12/c1-16-12-21-19-13-18-17(6-4-9-23(18)47-32-30(42)29(41)28(40)24(15-37)48-32)27(39)26(19)36(46)20-7-5-8-22(38)25(20)31(43)34(21,35(36,45)14-16)11-10-33(2,3)44/h4-13,21,24,28-30,32,37-42,44-46H,14-15H2,1-3H3/b11-10+/t21-,24+,28-,29-,30-,32+,34-,35+,36+/m1/s1
SMILES CC1=CC2c3cc4c(OC5OC(CO)C(O)C(O)C5O)cccc4c(O)c3C3(O)c4cccc(O)c4C(=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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