input word = C00036537

Metabolite InformationStructural formula
Name 3alpha-Oxepanoquercinic acid C
Formula C31H50O5
Mw 502.36582471
CAS RN 306963-59-7
C_ID C00036537 ,
InChIKey PEJVRURWUPBFOY-ADJJZGRANA-N
InChICode InChI=1S/C31H50O5/c1-17-16-31(35,19(3)18(2)26(33)34)36-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32,35H,9-16H2,1-8H3,(H,33,34)/t17-,18+,19-,20-,23+,24-,25-,28-,29+,30+,31+/m1/s1
SMILES CC(C(=O)O)[C@@H](C)[C@]1(O)C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C[C@@H](O1)[C@]23C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeDaedaleopsis quercina Ref.
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