input word = C00037714

Metabolite InformationStructural formula
Name Quercinic acid B
(+)-Quercinic acid B
Formula C21H46O4
Mw 362.33960996
CAS RN 306963-57-5
C_ID C00037714 ,
InChIKey GHDRSYXGPSCEMR-ORVNXFGENA-N
InChICode InChI=1S/C31H46O4/c1-18(17-24(32)19(2)20(3)27(34)35)21-11-15-31(8)23-9-10-25-28(4,5)26(33)13-14-29(25,6)22(23)12-16-30(21,31)7/h18,20-21,25H,2,9-17H2,1,3-8H3,(H,34,35)/t18-,20+,21-,25+,29-,30-,31+/m1/s1
SMILES C1(=O)C([C@H]2[C@](CC1)(C1=C(CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CC(=O)C(=C)[C@H](C)C(=O)O)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeDaedaleopsis quercina Ref.
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OrganismDaedaleopsis quercina
ReferenceRosecke,Phytochem.,54,(2000),757