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 c12c(C(=O)[C@@]3([C@@]4([C@]1(c1c([C@H]3C=C(C4)C)cc3c(c1O)cccc3O[C@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)CO)O)O)/C=C/C(C)(O)C)c(ccc2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeFirmiana platanifolia Ref.
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