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 C1C2=C([C@]3([C@](C1)([C@H](CC3)[C@@H](CC(=O)[C@H](C)[C@@H](C)C(=O)O)C)C)C)CC[C@@H]1[C@@]2(CC[C@H](C1(C)C)OC(=O)CC(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeDaedalea dickinsii Ref.
FungiPolyporaceaeTrametes dickensii Ref.
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OrganismTrametes dickensii
ReferenceAdam,Tetrahedron Lett.,(1967),1461