input word = C00042335

Metabolite InformationStructural formula
Name Carboxyacetylquercinic acid
Formula C34H52O7
Mw 572.37130401
CAS RN 38906-92-2
C_ID C00042335 ,
InChIKey WWJFQSXVIHXIBB-VJOMNVLANA-N
InChICode InChI=1S/C34H52O7/c1-19(17-25(35)20(2)21(3)30(39)40)22-11-15-34(8)24-9-10-26-31(4,5)27(41-29(38)18-28(36)37)13-14-32(26,6)23(24)12-16-33(22,34)7/h19-22,26-27H,9-18H2,1-8H3,(H,36,37)(H,39,40)/t19-,20-,21-,22-,26+,27-,32-,33-,34+/m1/s1
SMILES CC(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeDaedalea dickinsii Ref.
FungiPolyporaceaeTrametes dickensii Ref.
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OrganismDaedalea dickinsii
ReferenceYoshikawa,J.Nat.Prod.,68,(2005),911