input word = C00035380

Metabolite InformationStructural formula
Name Quercinic acid C
Formula C31H50O5
Mw 502.36582471
CAS RN 306963-58-6
C_ID C00035380 ,
InChIKey UREYGWKJWUPQSC-JVXBFSCENA-N
InChICode InChI=1S/C31H50O5/c1-17(15-23(32)18(2)19(3)27(35)36)20-11-14-30(7)21-9-10-24-28(4,5)25(33)12-13-29(24,6)22(21)16-26(34)31(20,30)8/h17-20,24-26,33-34H,9-16H2,1-8H3,(H,35,36)/t17-,18-,19+,20-,24+,25-,26-,29-,30+,31+/m1/s1
SMILES C1[C@H](C([C@H]2[C@](C1)(C1=C(CC2)[C@]2([C@]([C@@H](C1)O)([C@H](CC2)[C@@H](CC(=O)[C@H](C)[C@H](C)C(=O)O)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeFomitopsis spraguei Ref.
FungiPolyporaceaeDaedaleopsis quercina Ref.
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OrganismFomitopsis spraguei
ReferenceQuang,Phytochem.,66,(2005),1656