input word = C00035220

Metabolite InformationStructural formula
Name 3alpha-Carboxyacetyl-12beta-hydroxyquercinic acid
Formula C34H52O8
Mw 588.36621864
CAS RN 861399-74-8
C_ID C00035220 ,
InChIKey TVQUBLZAXIBVSC-HBMOQVOMNA-N
InChICode InChI=1S/C34H52O8/c1-18(15-24(35)19(2)20(3)30(40)41)21-11-14-33(7)22-9-10-25-31(4,5)27(42-29(39)17-28(37)38)12-13-32(25,6)23(22)16-26(36)34(21,33)8/h18-21,25-27,36H,9-17H2,1-8H3,(H,37,38)(H,40,41)/t18-,19-,20+,21-,25+,26-,27-,32-,33+,34+/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@@H](C(=O)O)C)C)C)C)C)C)(C)C)OC(=O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeFomitopsis spraguei Ref.
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